2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide

C16H20N4OS — CID 125019699

IUPAC2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CN2CCCC[C@@H]2c2ncc(C(N)=O)s2)n1
InChIInChI=1S/C16H20N4OS/c1-11-5-4-6-12(19-11)10-20-8-3-2-7-13(20)16-18-9-14(22-16)15(17)21/h4-6,9,13H,2-3,7-8,10H2,1H3,(H2,17,21)/t13-/m1/s1
InChIKeyXXXJKEIIGKBCLM-CYBMUJFWSA-N
MW316.43 g/mol
LogP2.67
Rot. Bonds4

About 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide

2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 125019699) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID125019699
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CN2CCCC[C@@H]2c2ncc(C(N)=O)s2)n1
InChIInChI=1S/C16H20N4OS/c1-11-5-4-6-12(19-11)10-20-8-3-2-7-13(20)16-18-9-14(22-16)15(17)21/h4-6,9,13H,2-3,7-8,10H2,1H3,(H2,17,21)/t13-/m1/s1
InChIKeyXXXJKEIIGKBCLM-CYBMUJFWSA-N
XLogP2.67
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 110109904
2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024082
2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124940784
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164
3-methyl-5-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]azepan-2-yl]-1,2-oxazole
CID 92561583
2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125009220
2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124946578
1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 79267259
2-[2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 110270011
2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024121
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 102785835
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321893

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide (CID 125019699) is 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide is Cc1cccc(CN2CCCC[C@@H]2c2ncc(C(N)=O)s2)n1.
What is the InChIKey of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is XXXJKEIIGKBCLM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-5-4-6-12(19-11)10-20-8-3-2-7-13(20)16-18-9-14(22-16)15(17)21/h4-6,9,13H,2-3,7-8,10H2,1H3,(H2,17,21)/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide?
2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125019699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).