5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

C15H19N5O2S — CID 91628810

IUPAC5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCCCC2c2cc(C(N)=O)n[nH]2)s1
InChIInChI=1S/C15H19N5O2S/c1-8-13(23-9(2)17-8)15(22)20-6-4-3-5-12(20)10-7-11(14(16)21)19-18-10/h7,12H,3-6H2,1-2H3,(H2,16,21)(H,18,19)
InChIKeyHKFNQSOYEFHTNS-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.95
Rot. Bonds3

About 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide

5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628810) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628810
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(C(=O)N2CCCCC2c2cc(C(N)=O)n[nH]2)s1
InChIInChI=1S/C15H19N5O2S/c1-8-13(23-9(2)17-8)15(22)20-6-4-3-5-12(20)10-7-11(14(16)21)19-18-10/h7,12H,3-6H2,1-2H3,(H2,16,21)(H,18,19)
InChIKeyHKFNQSOYEFHTNS-UHFFFAOYSA-N
XLogP1.95
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide (CID 91628810) is 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is Cc1nc(C)c(C(=O)N2CCCCC2c2cc(C(N)=O)n[nH]2)s1.
What is the InChIKey of 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HKFNQSOYEFHTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-8-13(23-9(2)17-8)15(22)20-6-4-3-5-12(20)10-7-11(14(16)21)19-18-10/h7,12H,3-6H2,1-2H3,(H2,16,21)(H,18,19).
What are the key properties of 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide?
5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).