N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide

C12H14N4O2S — CID 16952740

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(C)nn2C)nc1C
InChIInChI=1S/C12H14N4O2S/c1-6-5-9(16(4)15-6)11(18)14-12-13-7(2)10(19-12)8(3)17/h5H,1-4H3,(H,13,14,18)
InChIKeyPJKZFIUIEGJFRF-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.95
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952740) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID16952740
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(C)nn2C)nc1C
InChIInChI=1S/C12H14N4O2S/c1-6-5-9(16(4)15-6)11(18)14-12-13-7(2)10(19-12)8(3)17/h5H,1-4H3,(H,13,14,18)
InChIKeyPJKZFIUIEGJFRF-UHFFFAOYSA-N
XLogP1.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide (CID 16952740) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide is CC(=O)c1sc(NC(=O)c2cc(C)nn2C)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is PJKZFIUIEGJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-6-5-9(16(4)15-6)11(18)14-12-13-7(2)10(19-12)8(3)17/h5H,1-4H3,(H,13,14,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).