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

C17H16N4O2S — CID 16952111

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1-c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-10-9-13(20-21(10)3)16(23)19-17-18-14(15(24-17)11(2)22)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,19,23)
InChIKeyQBLLPDNTRJTRBV-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.31
Rot. Bonds4

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

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952111) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16952111
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1-c1ccccc1
InChIInChI=1S/C17H16N4O2S/c1-10-9-13(20-21(10)3)16(23)19-17-18-14(15(24-17)11(2)22)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,19,23)
InChIKeyQBLLPDNTRJTRBV-UHFFFAOYSA-N
XLogP3.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide (CID 16952111) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is CC(=O)c1sc(NC(=O)c2cc(C)n(C)n2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QBLLPDNTRJTRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10-9-13(20-21(10)3)16(23)19-17-18-14(15(24-17)11(2)22)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,18,19,23).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).