N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide

C14H11F2N5OS — CID 56784265

IUPACN-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ncn[nH]2)n1)Nc1cccc(C(F)F)c1
InChIInChI=1S/C14H11F2N5OS/c15-12(16)8-2-1-3-9(4-8)19-11(22)5-10-6-23-14(20-10)13-17-7-18-21-13/h1-4,6-7,12H,5H2,(H,19,22)(H,17,18,21)
InChIKeyZQHGWEGIMYSPSN-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.05
Rot. Bonds5

About N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide

N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 56784265) has the molecular formula C14H11F2N5OS and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID56784265
Molecular FormulaC14H11F2N5OS
Molecular Weight335.34 g/mol
Exact Mass335.07
IUPAC NameN-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ncn[nH]2)n1)Nc1cccc(C(F)F)c1
InChIInChI=1S/C14H11F2N5OS/c15-12(16)8-2-1-3-9(4-8)19-11(22)5-10-6-23-14(20-10)13-17-7-18-21-13/h1-4,6-7,12H,5H2,(H,19,22)(H,17,18,21)
InChIKeyZQHGWEGIMYSPSN-UHFFFAOYSA-N
XLogP3.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 71979833
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 95338902
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
N-[1-(3-acetamidophenyl)ethyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55581854
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
N-(3-methylsulfanylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701201
2-methyl-N-[4-[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 47071100
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537490
N-[3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537701

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide (CID 56784265) is N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ncn[nH]2)n1)Nc1cccc(C(F)F)c1.
What is the InChIKey of N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ZQHGWEGIMYSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5OS/c15-12(16)8-2-1-3-9(4-8)19-11(22)5-10-6-23-14(20-10)13-17-7-18-21-13/h1-4,6-7,12H,5H2,(H,19,22)(H,17,18,21).
What are the key properties of N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide?
N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 335.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)phenyl]-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 56784265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).