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

C18H18N4O2S — CID 42111319

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1
InChIInChI=1S/C18H18N4O2S/c1-4-22-14(10-11(2)21-22)17(24)20-18-19-15(16(25-18)12(3)23)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,19,20,24)
InChIKeyVOZIJKASHVJXTL-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.79
Rot. Bonds5

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

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 42111319) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID42111319
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1
InChIInChI=1S/C18H18N4O2S/c1-4-22-14(10-11(2)21-22)17(24)20-18-19-15(16(25-18)12(3)23)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,19,20,24)
InChIKeyVOZIJKASHVJXTL-UHFFFAOYSA-N
XLogP3.79
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.79
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-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 42111319) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is VOZIJKASHVJXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-4-22-14(10-11(2)21-22)17(24)20-18-19-15(16(25-18)12(3)23)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,19,20,24).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.79, 5 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-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42111319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).