2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C15H14F2N2OS2 — CID 86903400

IUPAC2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCSc1sc(NC(=O)C2CC2c2ccc(F)c(F)c2)nc1C
InChIInChI=1S/C15H14F2N2OS2/c1-7-14(21-2)22-15(18-7)19-13(20)10-6-9(10)8-3-4-11(16)12(17)5-8/h3-5,9-10H,6H2,1-2H3,(H,18,19,20)
InChIKeyFKLBFFAFFWICLO-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.19
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 86903400) has the molecular formula C15H14F2N2OS2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID86903400
Molecular FormulaC15H14F2N2OS2
Molecular Weight340.42 g/mol
Exact Mass340.05
IUPAC Name2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCSc1sc(NC(=O)C2CC2c2ccc(F)c(F)c2)nc1C
InChIInChI=1S/C15H14F2N2OS2/c1-7-14(21-2)22-15(18-7)19-13(20)10-6-9(10)8-3-4-11(16)12(17)5-8/h3-5,9-10H,6H2,1-2H3,(H,18,19,20)
InChIKeyFKLBFFAFFWICLO-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 86903400) is 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is CSc1sc(NC(=O)C2CC2c2ccc(F)c(F)c2)nc1C.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is FKLBFFAFFWICLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS2/c1-7-14(21-2)22-15(18-7)19-13(20)10-6-9(10)8-3-4-11(16)12(17)5-8/h3-5,9-10H,6H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 86903400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).