4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C18H24N4OS — CID 94868020

IUPAC4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCN1CCCC[C@@H]1C
InChIInChI=1S/C18H24N4OS/c1-13-7-4-6-11-22(13)12-10-20-17(23)16-14(2)21-18(24-16)15-8-3-5-9-19-15/h3,5,8-9,13H,4,6-7,10-12H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyDDTPRKJOWQQMTR-ZDUSSCGKSA-N
MW344.48 g/mol
LogP3.12
Rot. Bonds5

About 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 94868020) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID94868020
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCCN1CCCC[C@@H]1C
InChIInChI=1S/C18H24N4OS/c1-13-7-4-6-11-22(13)12-10-20-17(23)16-14(2)21-18(24-16)15-8-3-5-9-19-15/h3,5,8-9,13H,4,6-7,10-12H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyDDTPRKJOWQQMTR-ZDUSSCGKSA-N
XLogP3.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032
4-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71895393
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55735230
2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 59338739
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 39080704
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
4-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 47026987
N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71934858

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 94868020) is 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCCN1CCCC[C@@H]1C.
What is the InChIKey of 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DDTPRKJOWQQMTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-7-4-6-11-22(13)12-10-20-17(23)16-14(2)21-18(24-16)15-8-3-5-9-19-15/h3,5,8-9,13H,4,6-7,10-12H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 94868020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).