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

C12H14N4O2S — CID 42138558

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)n1
InChIInChI=1S/C12H14N4O2S/c1-4-16-6-5-9(15-16)11(18)14-12-13-7(2)10(19-12)8(3)17/h5-6H,4H2,1-3H3,(H,13,14,18)
InChIKeyPFKDUKRFTMZTIO-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.12
Rot. Bonds4

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

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 42138558) 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)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID42138558
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)n1
InChIInChI=1S/C12H14N4O2S/c1-4-16-6-5-9(15-16)11(18)14-12-13-7(2)10(19-12)8(3)17/h5-6H,4H2,1-3H3,(H,13,14,18)
InChIKeyPFKDUKRFTMZTIO-UHFFFAOYSA-N
XLogP2.12
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.12
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)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide (CID 42138558) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)n1.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is PFKDUKRFTMZTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-4-16-6-5-9(15-16)11(18)14-12-13-7(2)10(19-12)8(3)17/h5-6H,4H2,1-3H3,(H,13,14,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 2.12, 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-methyl-1,3-thiazol-2-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 42138558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).