6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide

C19H21N5OS — CID 90155375

IUPAC6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
InChIInChI=1S/C19H21N5OS/c1-20-19(25)14-10-21-18(9-16(14)23-12-4-2-3-5-12)24-13-6-7-15-17(8-13)26-11-22-15/h6-12H,2-5H2,1H3,(H,20,25)(H2,21,23,24)
InChIKeySZXHQDIXCJQAMI-UHFFFAOYSA-N
MW367.48 g/mol
LogP4.15
Rot. Bonds5

About 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide

6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide (PubChem CID 90155375) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide
PubChem CID90155375
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1
InChIInChI=1S/C19H21N5OS/c1-20-19(25)14-10-21-18(9-16(14)23-12-4-2-3-5-12)24-13-6-7-15-17(8-13)26-11-22-15/h6-12H,2-5H2,1H3,(H,20,25)(H2,21,23,24)
InChIKeySZXHQDIXCJQAMI-UHFFFAOYSA-N
XLogP4.15
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 90155396
N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 958632
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
6-[(1,3-Benzothiazol-6-Yl)amino]-4-{[(2s)-1-Hydroxy-3-Phenylpropan-2-Yl]amino}-N-Methylpyridine-3-Carboxamide
CID 131704459
6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 156013713
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876
N-[2-(butyrylamino)-1,3-benzothiazol-6-yl]nicotinamide
CID 1258198
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-6-piperidin-1ylnicotinamide
CID 11581455
2-(6-Methylaminopyridin-3-yl)benzothiazole-6-carboxamide
CID 24804394
5-(1,3-Benzothiazol-6-yl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54582944
5-(1,3-Benzothiazol-6-yl)-13-(prop-2-ynylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54582946
5-(1,3-Benzothiazol-5-yl)-13-(prop-2-ynylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54584892

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide (CID 90155375) is 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC1CCCC1.
What is the InChIKey of 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is SZXHQDIXCJQAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-20-19(25)14-10-21-18(9-16(14)23-12-4-2-3-5-12)24-13-6-7-15-17(8-13)26-11-22-15/h6-12H,2-5H2,1H3,(H,20,25)(H2,21,23,24).
What are the key properties of 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide?
6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-ylamino)-4-(cyclopentylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90155375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).