N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C21H22N4OS — CID 53145761

IUPACN-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1csc(-c2ccc(N3CCCCC3)nc2)n1
InChIInChI=1S/C21H22N4OS/c1-15-7-3-4-8-17(15)23-20(26)18-14-27-21(24-18)16-9-10-19(22-13-16)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,26)
InChIKeyUFRBNNCPQXHCGC-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.76
Rot. Bonds4

About N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53145761) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53145761
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1NC(=O)c1csc(-c2ccc(N3CCCCC3)nc2)n1
InChIInChI=1S/C21H22N4OS/c1-15-7-3-4-8-17(15)23-20(26)18-14-27-21(24-18)16-9-10-19(22-13-16)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,26)
InChIKeyUFRBNNCPQXHCGC-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53145761) is N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1ccccc1NC(=O)c1csc(-c2ccc(N3CCCCC3)nc2)n1.
What is the InChIKey of N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UFRBNNCPQXHCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-15-7-3-4-8-17(15)23-20(26)18-14-27-21(24-18)16-9-10-19(22-13-16)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,26).
What are the key properties of N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53145761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).