N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine

C19H20ClN5S — CID 58033166

IUPACN-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESC=C(Nc1nc2ccc(C)cc2s1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H20ClN5S/c1-13-5-6-16-17(12-13)26-19(23-16)22-14(2)24-8-10-25(11-9-24)18-15(20)4-3-7-21-18/h3-7,12H,2,8-11H2,1H3,(H,22,23)
InChIKeyVEXRSWDTHRTMCO-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.36
Rot. Bonds4

About N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine

N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 58033166) has the molecular formula C19H20ClN5S and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID58033166
Molecular FormulaC19H20ClN5S
Molecular Weight385.92 g/mol
Exact Mass385.11
IUPAC NameN-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESC=C(Nc1nc2ccc(C)cc2s1)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H20ClN5S/c1-13-5-6-16-17(12-13)26-19(23-16)22-14(2)24-8-10-25(11-9-24)18-15(20)4-3-7-21-18/h3-7,12H,2,8-11H2,1H3,(H,22,23)
InChIKeyVEXRSWDTHRTMCO-UHFFFAOYSA-N
XLogP4.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
(2R)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 10388712
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104740830
1-N-(3-fluoro-5-methylphenyl)-1-N'-(6-methyl-1,3-benzothiazol-2-yl)ethene-1,1-diamine
CID 153362548
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
4-(2-chlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 88910072
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-sulfonamide
CID 43415015
4-(3-chloropyrazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 89361893
4-chloro-1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-5-carboxamide
CID 19475855
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine (CID 58033166) is N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine is C=C(Nc1nc2ccc(C)cc2s1)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is VEXRSWDTHRTMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5S/c1-13-5-6-16-17(12-13)26-19(23-16)22-14(2)24-8-10-25(11-9-24)18-15(20)4-3-7-21-18/h3-7,12H,2,8-11H2,1H3,(H,22,23).
What are the key properties of N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine?
N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 385.92 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]ethenyl]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 58033166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).