[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane

C110H136N36O6S12 — CID 159993864

IUPAC[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@@](C)(=O)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@@](C)(=O)c1cnc(N2CCN([C@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](=O)(CC)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](C)(=O)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](C)(=O)c1cnc(N2CCN([C@H](C)c3ccc4scnc4c3)CC2)nc1
InChIInChI=1S/2C19H24N6OS2.4C18H22N6OS2/c2*1-3-28(20,26)16-11-21-19(22-12-16)25-8-6-24(7-9-25)14(2)15-4-5-18-17(10-15)23-13-27-18;4*1-13(14-3-4-17-16(9-14)22-12-26-17)23-5-7-24(8-6-23)18-20-10-15(11-21-18)27(2,19)25/h2*4-5,10-14,20H,3,6-9H2,1-2H3;4*3-4,9-13,19H,5-8H2,1-2H3/t14-,28+;14-,28-;2*13-,27+;2*13-,27-/m001010/s1
InChIKeyOHHGZBLIPDULSQ-CSTWYGCHSA-N
MW2443.35 g/mol
LogP18.81
Rot. Bonds26

About [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane

[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 159993864) has the molecular formula C110H136N36O6S12 and a molecular weight of 2443.35 g/mol. Its IUPAC name is [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane
PubChem CID159993864
Molecular FormulaC110H136N36O6S12
Molecular Weight2443.35 g/mol
Exact Mass2440.81
IUPAC Name[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](=O)(CC)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@@](C)(=O)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@@](C)(=O)c1cnc(N2CCN([C@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](=O)(CC)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](C)(=O)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](C)(=O)c1cnc(N2CCN([C@H](C)c3ccc4scnc4c3)CC2)nc1
InChIInChI=1S/2C19H24N6OS2.4C18H22N6OS2/c2*1-3-28(20,26)16-11-21-19(22-12-16)25-8-6-24(7-9-25)14(2)15-4-5-18-17(10-15)23-13-27-18;4*1-13(14-3-4-17-16(9-14)22-12-26-17)23-5-7-24(8-6-23)18-20-10-15(11-21-18)27(2,19)25/h2*4-5,10-14,20H,3,6-9H2,1-2H3;4*3-4,9-13,19H,5-8H2,1-2H3/t14-,28+;14-,28-;2*13-,27+;2*13-,27-/m001010/s1
InChIKeyOHHGZBLIPDULSQ-CSTWYGCHSA-N
XLogP18.81
TPSA516.42 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds26
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002443.35
LogP ≤ 518.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Analyze [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane with MolForge

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Launch Full Analysis

Related Compounds

US11261183, Example 58
CID 137514211
US11261183, Example 59
CID 137514361
US11261183, Example 42
CID 142413987
US11261183, Example 23
CID 142413992
US11261183, Example 43
CID 142414009
US11261183, Example 24
CID 142414079
US11261183, Example 44
CID 142414111
butyl-methylidene-oxo-[4-[[6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazol-2-yl]oxy]piperidin-1-yl]-lambda6-sulfane;2-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-[1-(2,2-dimethylpropoxy)ethenyl]piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-benzothiazole;6-(1-propylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(1-pyrimidin-2-ylpiperidin-4-yl)oxy-1,3-benzothiazole
CID 159242779
dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)
CID 139160284
N-[3-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide;N-[3-[2-(2H-tetrazol-5-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 87276218
2-[4-[1-(1,3-Benzothiazol-5-yl)ethyl]piperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 137514578
2-[4-(2,6-Diphenylpyrimidin-4-yl)-2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)phenyl]-1,3-benzothiazole
CID 139533389

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane (CID 159993864) is [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane is [H]N=[S@@](=O)(CC)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@@](C)(=O)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@@](C)(=O)c1cnc(N2CCN([C@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](=O)(CC)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](C)(=O)c1cnc(N2CCN([C@@H](C)c3ccc4scnc4c3)CC2)nc1.[H]N=[S@](C)(=O)c1cnc(N2CCN([C@H](C)c3ccc4scnc4c3)CC2)nc1.
What is the InChIKey of [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is OHHGZBLIPDULSQ-CSTWYGCHSA-N. The full InChI is InChI=1S/2C19H24N6OS2.4C18H22N6OS2/c2*1-3-28(20,26)16-11-21-19(22-12-16)25-8-6-24(7-9-25)14(2)15-4-5-18-17(10-15)23-13-27-18;4*1-13(14-3-4-17-16(9-14)22-12-26-17)23-5-7-24(8-6-23)18-20-10-15(11-21-18)27(2,19)25/h2*4-5,10-14,20H,3,6-9H2,1-2H3;4*3-4,9-13,19H,5-8H2,1-2H3/t14-,28+;14-,28-;2*13-,27+;2*13-,27-/m001010/s1.
What are the key properties of [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane?
[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 2443.35 g/mol, XLogP of 18.81, 26 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethyl-imino-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane;[2-[4-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 159993864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).