2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide

C15H12F2N4OS — CID 99838357

IUPAC2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(-c2cccs2)nc1NC(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C15H12F2N4OS/c1-21-15(19-14(20-21)12-3-2-6-23-12)18-13(22)8-9-7-10(16)4-5-11(9)17/h2-7H,8H2,1H3,(H,18,19,20,22)
InChIKeyLXSDGCMNTWOFMR-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.00
Rot. Bonds4

About 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide

2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 99838357) has the molecular formula C15H12F2N4OS and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID99838357
Molecular FormulaC15H12F2N4OS
Molecular Weight334.35 g/mol
Exact Mass334.07
IUPAC Name2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(-c2cccs2)nc1NC(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C15H12F2N4OS/c1-21-15(19-14(20-21)12-3-2-6-23-12)18-13(22)8-9-7-10(16)4-5-11(9)17/h2-7H,8H2,1H3,(H,18,19,20,22)
InChIKeyLXSDGCMNTWOFMR-UHFFFAOYSA-N
XLogP3.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 99838339
N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
CID 99838266
[5-[(2-fluorophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]-phenylmethanone
CID 53492004
2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 122244550
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
CID 122163097
4-[(2,5-difluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 63794475
2-(2,5-difluorophenyl)-N-[2-(dimethylamino)pyrimidin-4-yl]acetamide
CID 71869180
4,5-difluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62867498
N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 110472944
N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173
3-fluoro-2-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)aniline
CID 62733008

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide (CID 99838357) is 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide is Cn1nc(-c2cccs2)nc1NC(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is LXSDGCMNTWOFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4OS/c1-21-15(19-14(20-21)12-3-2-6-23-12)18-13(22)8-9-7-10(16)4-5-11(9)17/h2-7H,8H2,1H3,(H,18,19,20,22).
What are the key properties of 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide?
2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 99838357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).