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

C18H20N6OS — CID 72849518

IUPAC2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCCC(c3nccn3Cc3cscn3)C2)c1
InChIInChI=1S/C18H20N6OS/c19-17(25)13-3-4-20-16(8-13)23-6-1-2-14(9-23)18-21-5-7-24(18)10-15-11-26-12-22-15/h3-5,7-8,11-12,14H,1-2,6,9-10H2,(H2,19,25)
InChIKeyNQVKWIDZXSBTIK-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.27
Rot. Bonds5

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

2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 72849518) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID72849518
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCCC(c3nccn3Cc3cscn3)C2)c1
InChIInChI=1S/C18H20N6OS/c19-17(25)13-3-4-20-16(8-13)23-6-1-2-14(9-23)18-21-5-7-24(18)10-15-11-26-12-22-15/h3-5,7-8,11-12,14H,1-2,6,9-10H2,(H2,19,25)
InChIKeyNQVKWIDZXSBTIK-UHFFFAOYSA-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-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 97115819
2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 97202523
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72905841
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97280833
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985
3-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97275163
N,N-dimethyl-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrazin-2-amine
CID 72893943
N,N-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188445
N,N-dimethyl-2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]acetamide
CID 97188446

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide (CID 72849518) is 2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCCC(c3nccn3Cc3cscn3)C2)c1.
What is the InChIKey of 2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is NQVKWIDZXSBTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c19-17(25)13-3-4-20-16(8-13)23-6-1-2-14(9-23)18-21-5-7-24(18)10-15-11-26-12-22-15/h3-5,7-8,11-12,14H,1-2,6,9-10H2,(H2,19,25).
What are the key properties of 2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide?
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-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-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 72849518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).