N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide

C24H26N6OS — CID 117083915

IUPACN-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
SMILESCn1nccc1Nc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2s1
InChIInChI=1S/C24H26N6OS/c1-29-22(9-12-25-29)28-24-27-20-8-7-18(15-21(20)32-24)23(31)26-19-10-13-30(14-11-19)16-17-5-3-2-4-6-17/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,26,31)(H,27,28)
InChIKeyTYVAICVQPSILIZ-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.17
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide

N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide (PubChem CID 117083915) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
PubChem CID117083915
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
SMILESCn1nccc1Nc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2s1
InChIInChI=1S/C24H26N6OS/c1-29-22(9-12-25-29)28-24-27-20-8-7-18(15-21(20)32-24)23(31)26-19-10-13-30(14-11-19)16-17-5-3-2-4-6-17/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,26,31)(H,27,28)
InChIKeyTYVAICVQPSILIZ-UHFFFAOYSA-N
XLogP4.17
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide (CID 117083915) is N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide is Cn1nccc1Nc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide?
The InChIKey is TYVAICVQPSILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c1-29-22(9-12-25-29)28-24-27-20-8-7-18(15-21(20)32-24)23(31)26-19-10-13-30(14-11-19)16-17-5-3-2-4-6-17/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,26,31)(H,27,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117083915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).