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

C16H14N4O2S — CID 25284518

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
InChIInChI=1S/C16H14N4O2S/c1-10(21)14-13(11-6-4-3-5-7-11)18-16(23-14)19-15(22)12-8-9-17-20(12)2/h3-9H,1-2H3,(H,18,19,22)
InChIKeyMNCXLYZONCHONY-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.00
Rot. Bonds4

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

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 25284518) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID25284518
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1
InChIInChI=1S/C16H14N4O2S/c1-10(21)14-13(11-6-4-3-5-7-11)18-16(23-14)19-15(22)12-8-9-17-20(12)2/h3-9H,1-2H3,(H,18,19,22)
InChIKeyMNCXLYZONCHONY-UHFFFAOYSA-N
XLogP3.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.00
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-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide (CID 25284518) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide is CC(=O)c1sc(NC(=O)c2ccnn2C)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is MNCXLYZONCHONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-10(21)14-13(11-6-4-3-5-7-11)18-16(23-14)19-15(22)12-8-9-17-20(12)2/h3-9H,1-2H3,(H,18,19,22).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.00, 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)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25284518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).