N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C15H17N5O2S — CID 136542163

IUPACN-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CC=C(c3ccnn3C)CC2)cs1
InChIInChI=1S/C15H17N5O2S/c1-10(21)17-15-18-12(9-23-15)14(22)20-7-4-11(5-8-20)13-3-6-16-19(13)2/h3-4,6,9H,5,7-8H2,1-2H3,(H,17,18,21)
InChIKeyAULMNHWXOKGCCM-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.76
Rot. Bonds3

About N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 136542163) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID136542163
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CC=C(c3ccnn3C)CC2)cs1
InChIInChI=1S/C15H17N5O2S/c1-10(21)17-15-18-12(9-23-15)14(22)20-7-4-11(5-8-20)13-3-6-16-19(13)2/h3-4,6,9H,5,7-8H2,1-2H3,(H,17,18,21)
InChIKeyAULMNHWXOKGCCM-UHFFFAOYSA-N
XLogP1.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 106671767
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 86849606
N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 136543085
N-[4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 115874539
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38299335
N-[4-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94023301
N-(2-cyclopropyl-6-oxopiperidin-3-yl)-4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 129009371
N-[4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 39043901
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287
2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 47057312
N-[4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 136538437
(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 167896651

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 136542163) is N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CC=C(c3ccnn3C)CC2)cs1.
What is the InChIKey of N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is AULMNHWXOKGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10(21)17-15-18-12(9-23-15)14(22)20-7-4-11(5-8-20)13-3-6-16-19(13)2/h3-4,6,9H,5,7-8H2,1-2H3,(H,17,18,21).
What are the key properties of N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 136542163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).