2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine

C7H7ClF2N2S — CID 126987222

IUPAC2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine
SMILESFC(F)[C@H]1C[C@@H]1Nc1csc(Cl)n1
InChIInChI=1S/C7H7ClF2N2S/c8-7-12-5(2-13-7)11-4-1-3(4)6(9)10/h2-4,6,11H,1H2/t3-,4-/m0/s1
InChIKeyDAUKVGUMDNENHC-IMJSIDKUSA-N
MW224.66 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine

2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine (PubChem CID 126987222) has the molecular formula C7H7ClF2N2S and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine
PubChem CID126987222
Molecular FormulaC7H7ClF2N2S
Molecular Weight224.66 g/mol
Exact Mass224.00
IUPAC Name2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine
SMILESFC(F)[C@H]1C[C@@H]1Nc1csc(Cl)n1
InChIInChI=1S/C7H7ClF2N2S/c8-7-12-5(2-13-7)11-4-1-3(4)6(9)10/h2-4,6,11H,1H2/t3-,4-/m0/s1
InChIKeyDAUKVGUMDNENHC-IMJSIDKUSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-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 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine (CID 126987222) is 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine is FC(F)[C@H]1C[C@@H]1Nc1csc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine?
The InChIKey is DAUKVGUMDNENHC-IMJSIDKUSA-N. The full InChI is InChI=1S/C7H7ClF2N2S/c8-7-12-5(2-13-7)11-4-1-3(4)6(9)10/h2-4,6,11H,1H2/t3-,4-/m0/s1.
What are the key properties of 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine?
2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine has a molecular weight of 224.66 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 126987222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).