trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C15H15F3N4OS — CID 98934794

IUPACtrans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n[nH]c1=S
InChIInChI=1S/C15H15F3N4OS/c1-22-12(20-21-14(22)24)7-19-13(23)10-6-9(10)8-4-2-3-5-11(8)15(16,17)18/h2-5,9-10H,6-7H2,1H3,(H,19,23)(H,21,24)/t9-,10+/m0/s1
InChIKeyZLLRRVQMRBZGJL-VHSXEESVSA-N
MW356.37 g/mol
LogP2.92
Rot. Bonds4

About trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 98934794) has the molecular formula C15H15F3N4OS and a molecular weight of 356.37 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID98934794
Molecular FormulaC15H15F3N4OS
Molecular Weight356.37 g/mol
Exact Mass356.09
IUPAC Nametrans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCn1c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n[nH]c1=S
InChIInChI=1S/C15H15F3N4OS/c1-22-12(20-21-14(22)24)7-19-13(23)10-6-9(10)8-4-2-3-5-11(8)15(16,17)18/h2-5,9-10H,6-7H2,1H3,(H,19,23)(H,21,24)/t9-,10+/m0/s1
InChIKeyZLLRRVQMRBZGJL-VHSXEESVSA-N
XLogP2.92
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556746
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 95178723
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
cis-(1R,2S)-2-[2-(trifluoromethyl)phenyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97185406
2-(2-fluorophenyl)-2-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 95178695
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009995
trans-(1S,2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96999756
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 71898161
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556905
2-[[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102559952
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 129415418

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 98934794) is trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cn1c(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n[nH]c1=S.
What is the InChIKey of trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZLLRRVQMRBZGJL-VHSXEESVSA-N. The full InChI is InChI=1S/C15H15F3N4OS/c1-22-12(20-21-14(22)24)7-19-13(23)10-6-9(10)8-4-2-3-5-11(8)15(16,17)18/h2-5,9-10H,6-7H2,1H3,(H,19,23)(H,21,24)/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 98934794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).