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

C16H19N5O2S — CID 72725546

IUPAC2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccncc2N2CCCCC2)cs1
InChIInChI=1S/C16H19N5O2S/c1-11(22)18-16-20-13(10-24-16)15(23)19-12-5-6-17-9-14(12)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,23)(H,18,20,22)
InChIKeyHGGDKROMZVBKPS-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.74
Rot. Bonds4

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

2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 72725546) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID72725546
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccncc2N2CCCCC2)cs1
InChIInChI=1S/C16H19N5O2S/c1-11(22)18-16-20-13(10-24-16)15(23)19-12-5-6-17-9-14(12)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,23)(H,18,20,22)
InChIKeyHGGDKROMZVBKPS-UHFFFAOYSA-N
XLogP2.74
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3R)-3-aminopiperidin-1-yl]-4-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967893
2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 47057312
2-(2-aminoethyl)-N-[2-(azepan-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120641148
2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 47388391
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153384
2-acetamido-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 71896196
2-acetamido-N-[(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-1,3-thiazole-4-carboxamide
CID 95158420
2-(cyclohexylmethylamino)-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 143665693
N-(4-acetyl-1,3-thiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55435383
tert-butyl 4-[3-[[2-[(3-methylsulfanylphenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 58282611
2-(4-hexanoylcyclohexyl)-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71025985
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 72725546) is 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2ccncc2N2CCCCC2)cs1.
What is the InChIKey of 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HGGDKROMZVBKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11(22)18-16-20-13(10-24-16)15(23)19-12-5-6-17-9-14(12)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,19,23)(H,18,20,22).
What are the key properties of 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72725546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).