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

C12H14N4O2S — CID 66121131

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(C(C)=O)cs2)n(C)n1
InChIInChI=1S/C12H14N4O2S/c1-4-8-5-10(16(3)15-8)11(18)14-12-13-9(6-19-12)7(2)17/h5-6H,4H2,1-3H3,(H,13,14,18)
InChIKeyHRBHKTHWIBPHPV-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.89
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66121131) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66121131
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2nc(C(C)=O)cs2)n(C)n1
InChIInChI=1S/C12H14N4O2S/c1-4-8-5-10(16(3)15-8)11(18)14-12-13-9(6-19-12)7(2)17/h5-6H,4H2,1-3H3,(H,13,14,18)
InChIKeyHRBHKTHWIBPHPV-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121511
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741
N-(4-acetyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 60716951
N-(4-acetyl-1,3-thiazol-2-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 113235351
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
N-(4-acetyl-1,3-thiazol-2-yl)-5-ethylthiophene-2-carboxamide
CID 60716873
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
CID 103118181
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 17428702
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66121131) is N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2nc(C(C)=O)cs2)n(C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is HRBHKTHWIBPHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-4-8-5-10(16(3)15-8)11(18)14-12-13-9(6-19-12)7(2)17/h5-6H,4H2,1-3H3,(H,13,14,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).