2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide

C16H16FN5OS — CID 46969967

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(C)n(CC(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)n1
InChIInChI=1S/C16H16FN5OS/c1-9-6-12(4-5-13(9)17)14-8-24-16(19-14)20-15(23)7-22-11(3)18-10(2)21-22/h4-6,8H,7H2,1-3H3,(H,19,20,23)
InChIKeyIKSMJDCZQXUEGZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.10
Rot. Bonds4

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 46969967) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID46969967
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(C)n(CC(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)n1
InChIInChI=1S/C16H16FN5OS/c1-9-6-12(4-5-13(9)17)14-8-24-16(19-14)20-15(23)7-22-11(3)18-10(2)21-22/h4-6,8H,7H2,1-3H3,(H,19,20,23)
InChIKeyIKSMJDCZQXUEGZ-UHFFFAOYSA-N
XLogP3.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide
CID 46969122
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424153
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
CID 44603053
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
2-(4-benzylpiperazin-1-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22198175
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 71858357
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22195400

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 46969967) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1nc(C)n(CC(=O)Nc2nc(-c3ccc(F)c(C)c3)cs2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is IKSMJDCZQXUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-9-6-12(4-5-13(9)17)14-8-24-16(19-14)20-15(23)7-22-11(3)18-10(2)21-22/h4-6,8H,7H2,1-3H3,(H,19,20,23).
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46969967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).