2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide

C18H20N6OS — CID 97202523

IUPAC2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCC[C@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C18H20N6OS/c19-16(25)15-4-1-5-20-18(15)23-7-2-3-13(9-23)17-21-6-8-24(17)10-14-11-26-12-22-14/h1,4-6,8,11-13H,2-3,7,9-10H2,(H2,19,25)/t13-/m0/s1
InChIKeyXTBPNROBFZTKOO-ZDUSSCGKSA-N
MW368.47 g/mol
LogP2.27
Rot. Bonds5

About 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide

2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 97202523) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID97202523
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCC[C@H](c2nccn2Cc2cscn2)C1
InChIInChI=1S/C18H20N6OS/c19-16(25)15-4-1-5-20-18(15)23-7-2-3-13(9-23)17-21-6-8-24(17)10-14-11-26-12-22-14/h1,4-6,8,11-13H,2-3,7,9-10H2,(H2,19,25)/t13-/m0/s1
InChIKeyXTBPNROBFZTKOO-ZDUSSCGKSA-N
XLogP2.27
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72905841
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72849518
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
4-[[2-[1-(3-methoxypyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72861840
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
CID 97280397
N,N-dimethyl-2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188446
N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188445

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide (CID 97202523) is 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCC[C@H](c2nccn2Cc2cscn2)C1.
What is the InChIKey of 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is XTBPNROBFZTKOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6OS/c19-16(25)15-4-1-5-20-18(15)23-7-2-3-13(9-23)17-21-6-8-24(17)10-14-11-26-12-22-14/h1,4-6,8,11-13H,2-3,7,9-10H2,(H2,19,25)/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide?
2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97202523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).