6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole

C151H206N24O6S4 — CID 167696722

IUPAC6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(C3CCN(C)CC3)ccc2o1.CC(C)c1nc2cc(C3CCNCC3)ccc2o1.CC(C)c1nc2cc(N3CCN(C)CC3)ccc2o1.CC(C)c1nc2cc(N3CCNCC3)ccc2o1.CC(C)c1nc2ccc(C3CCN(C)CC3)cc2o1.CC(C)c1nc2ccc(C3CCN(C)CC3)cc2s1.CC(C)c1nc2ccc(C3CCNCC3)cc2o1.CC(C)c1nc2ccc(C3CCNCC3)cc2s1.CC(C)c1nc2ccc(N3CCN(C)CC3)cc2s1.CC(C)c1nc2ccc(N3CCNCC3)cc2s1
InChIInChI=1S/2C16H22N2O.C16H22N2S.C15H21N3O.C15H21N3S.2C15H20N2O.C15H20N2S.C14H19N3O.C14H19N3S/c1-11(2)16-17-14-10-13(4-5-15(14)19-16)12-6-8-18(3)9-7-12;2*1-11(2)16-17-14-5-4-13(10-15(14)19-16)12-6-8-18(3)9-7-12;1-11(2)15-16-13-10-12(4-5-14(13)19-15)18-8-6-17(3)7-9-18;1-11(2)15-16-13-5-4-12(10-14(13)19-15)18-8-6-17(3)7-9-18;1-10(2)15-17-13-9-12(3-4-14(13)18-15)11-5-7-16-8-6-11;2*1-10(2)15-17-13-4-3-12(9-14(13)18-15)11-5-7-16-8-6-11;1-10(2)14-16-12-9-11(3-4-13(12)18-14)17-7-5-15-6-8-17;1-10(2)14-16-12-4-3-11(9-13(12)18-14)17-7-5-15-6-8-17/h3*4-5,10-12H,6-9H2,1-3H3;2*4-5,10-11H,6-9H2,1-3H3;3*3-4,9-11,16H,5-8H2,1-2H3;2*3-4,9-10,15H,5-8H2,1-2H3
InChIKeyXTOSQIFLIHTNQH-UHFFFAOYSA-N
MW2581.74 g/mol
LogP33.54
Rot. Bonds20

About 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole

6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole (PubChem CID 167696722) has the molecular formula C151H206N24O6S4 and a molecular weight of 2581.74 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole
PubChem CID167696722
Molecular FormulaC151H206N24O6S4
Molecular Weight2581.74 g/mol
Exact Mass2579.54
IUPAC Name6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(C3CCN(C)CC3)ccc2o1.CC(C)c1nc2cc(C3CCNCC3)ccc2o1.CC(C)c1nc2cc(N3CCN(C)CC3)ccc2o1.CC(C)c1nc2cc(N3CCNCC3)ccc2o1.CC(C)c1nc2ccc(C3CCN(C)CC3)cc2o1.CC(C)c1nc2ccc(C3CCN(C)CC3)cc2s1.CC(C)c1nc2ccc(C3CCNCC3)cc2o1.CC(C)c1nc2ccc(C3CCNCC3)cc2s1.CC(C)c1nc2ccc(N3CCN(C)CC3)cc2s1.CC(C)c1nc2ccc(N3CCNCC3)cc2s1
InChIInChI=1S/2C16H22N2O.C16H22N2S.C15H21N3O.C15H21N3S.2C15H20N2O.C15H20N2S.C14H19N3O.C14H19N3S/c1-11(2)16-17-14-10-13(4-5-15(14)19-16)12-6-8-18(3)9-7-12;2*1-11(2)16-17-14-5-4-13(10-15(14)19-16)12-6-8-18(3)9-7-12;1-11(2)15-16-13-10-12(4-5-14(13)19-15)18-8-6-17(3)7-9-18;1-11(2)15-16-13-5-4-12(10-14(13)19-15)18-8-6-17(3)7-9-18;1-10(2)15-17-13-9-12(3-4-14(13)18-15)11-5-7-16-8-6-11;2*1-10(2)15-17-13-4-3-12(9-14(13)18-15)11-5-7-16-8-6-11;1-10(2)14-16-12-9-11(3-4-13(12)18-14)17-7-5-15-6-8-17;1-10(2)14-16-12-4-3-11(9-13(12)18-14)17-7-5-15-6-8-17/h3*4-5,10-12H,6-9H2,1-3H3;2*4-5,10-11H,6-9H2,1-3H3;3*3-4,9-11,16H,5-8H2,1-2H3;2*3-4,9-10,15H,5-8H2,1-2H3
InChIKeyXTOSQIFLIHTNQH-UHFFFAOYSA-N
XLogP33.54
TPSA297.05 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002581.74
LogP ≤ 533.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole with MolForge

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Launch Full Analysis

Related Compounds

2-butan-2-yl-5-piperazin-1-yl-1,3-benzoxazole
CID 82232894
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid
CID 117099421
ethane;2-methyl-6-(1-methylpiperidin-4-yl)-1,3-benzothiazole
CID 155572427
2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole
CID 94979311
2-(2-methylpropyl)-5-piperazin-1-yl-1,3-benzoxazole
CID 82232893
7-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551688
5-piperidin-4-yloxy-2-propan-2-yl-1,3-benzoxazole
CID 117098143
6-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551712
2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole
CID 117399869
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
2-propan-2-yl-N-pyrrolidin-3-yl-1,3-benzoxazol-5-amine
CID 79731105
6-piperidin-4-yl-2,1-benzoxazole
CID 84776818

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole (CID 167696722) is 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole is CC(C)c1nc2cc(C3CCN(C)CC3)ccc2o1.CC(C)c1nc2cc(C3CCNCC3)ccc2o1.CC(C)c1nc2cc(N3CCN(C)CC3)ccc2o1.CC(C)c1nc2cc(N3CCNCC3)ccc2o1.CC(C)c1nc2ccc(C3CCN(C)CC3)cc2o1.CC(C)c1nc2ccc(C3CCN(C)CC3)cc2s1.CC(C)c1nc2ccc(C3CCNCC3)cc2o1.CC(C)c1nc2ccc(C3CCNCC3)cc2s1.CC(C)c1nc2ccc(N3CCN(C)CC3)cc2s1.CC(C)c1nc2ccc(N3CCNCC3)cc2s1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is XTOSQIFLIHTNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H22N2O.C16H22N2S.C15H21N3O.C15H21N3S.2C15H20N2O.C15H20N2S.C14H19N3O.C14H19N3S/c1-11(2)16-17-14-10-13(4-5-15(14)19-16)12-6-8-18(3)9-7-12;2*1-11(2)16-17-14-5-4-13(10-15(14)19-16)12-6-8-18(3)9-7-12;1-11(2)15-16-13-10-12(4-5-14(13)19-15)18-8-6-17(3)7-9-18;1-11(2)15-16-13-5-4-12(10-14(13)19-15)18-8-6-17(3)7-9-18;1-10(2)15-17-13-9-12(3-4-14(13)18-15)11-5-7-16-8-6-11;2*1-10(2)15-17-13-4-3-12(9-14(13)18-15)11-5-7-16-8-6-11;1-10(2)14-16-12-9-11(3-4-13(12)18-14)17-7-5-15-6-8-17;1-10(2)14-16-12-4-3-11(9-13(12)18-14)17-7-5-15-6-8-17/h3*4-5,10-12H,6-9H2,1-3H3;2*4-5,10-11H,6-9H2,1-3H3;3*3-4,9-11,16H,5-8H2,1-2H3;2*3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole?
6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 2581.74 g/mol, XLogP of 33.54, 20 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzothiazole;5-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzothiazole;5-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-(1-methylpiperidin-4-yl)-2-propan-2-yl-1,3-benzoxazole;6-piperazin-1-yl-2-propan-2-yl-1,3-benzothiazole;5-piperazin-1-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzothiazole;5-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole;6-piperidin-4-yl-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 167696722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).