N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine

C10H8ClF2N3S — CID 75427259

IUPACN-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)c1nnc(NCc2ccccc2Cl)s1
InChIInChI=1S/C10H8ClF2N3S/c11-7-4-2-1-3-6(7)5-14-10-16-15-9(17-10)8(12)13/h1-4,8H,5H2,(H,14,16)
InChIKeyTVOHIEXWDZZPOA-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.74
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine

N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 75427259) has the molecular formula C10H8ClF2N3S and a molecular weight of 275.71 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID75427259
Molecular FormulaC10H8ClF2N3S
Molecular Weight275.71 g/mol
Exact Mass275.01
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)c1nnc(NCc2ccccc2Cl)s1
InChIInChI=1S/C10H8ClF2N3S/c11-7-4-2-1-3-6(7)5-14-10-16-15-9(17-10)8(12)13/h1-4,8H,5H2,(H,14,16)
InChIKeyTVOHIEXWDZZPOA-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine 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 N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine (CID 75427259) is N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)c1nnc(NCc2ccccc2Cl)s1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is TVOHIEXWDZZPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3S/c11-7-4-2-1-3-6(7)5-14-10-16-15-9(17-10)8(12)13/h1-4,8H,5H2,(H,14,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 275.71 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(difluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 75427259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).