N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

C18H18N4O2S — CID 23611507

IUPACN-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2sc(-n3nc(C)cc3C)nc2C)c1
InChIInChI=1S/C18H18N4O2S/c1-10-8-11(2)22(21-10)18-19-12(3)16(25-18)17(24)20-15-7-5-6-14(9-15)13(4)23/h5-9H,1-4H3,(H,20,24)
InChIKeyBPWLWXNZFBPCOA-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.71
Rot. Bonds4

About N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 23611507) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID23611507
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2sc(-n3nc(C)cc3C)nc2C)c1
InChIInChI=1S/C18H18N4O2S/c1-10-8-11(2)22(21-10)18-19-12(3)16(25-18)17(24)20-15-7-5-6-14(9-15)13(4)23/h5-9H,1-4H3,(H,20,24)
InChIKeyBPWLWXNZFBPCOA-UHFFFAOYSA-N
XLogP3.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-[3,5-dimethyl-4-[(4-methylphenyl)methyl]pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611669
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86990195
1-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 45035351
N-[2-(3,5-dimethylpyrazol-1-yl)-1,3-benzothiazol-5-yl]benzamide
CID 50882099
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
N-(4-acetylphenyl)-2-(4-butyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611564
N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
CID 16877058
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
2-[4-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611606
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 23611507) is N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2sc(-n3nc(C)cc3C)nc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BPWLWXNZFBPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-10-8-11(2)22(21-10)18-19-12(3)16(25-18)17(24)20-15-7-5-6-14(9-15)13(4)23/h5-9H,1-4H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23611507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).