2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine

C7H9ClF2N2S — CID 130688681

IUPAC2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine
SMILESCC(CC(F)F)Nc1csc(Cl)n1
InChIInChI=1S/C7H9ClF2N2S/c1-4(2-5(9)10)11-6-3-13-7(8)12-6/h3-5,11H,2H2,1H3
InChIKeyNSZARYWJPWUHBW-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine

2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine (PubChem CID 130688681) has the molecular formula C7H9ClF2N2S and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine
PubChem CID130688681
Molecular FormulaC7H9ClF2N2S
Molecular Weight226.68 g/mol
Exact Mass226.01
IUPAC Name2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine
SMILESCC(CC(F)F)Nc1csc(Cl)n1
InChIInChI=1S/C7H9ClF2N2S/c1-4(2-5(9)10)11-6-3-13-7(8)12-6/h3-5,11H,2H2,1H3
InChIKeyNSZARYWJPWUHBW-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(4,4-difluorobutan-2-yl)-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-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine (CID 130688681) is 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine is CC(CC(F)F)Nc1csc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine?
The InChIKey is NSZARYWJPWUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2S/c1-4(2-5(9)10)11-6-3-13-7(8)12-6/h3-5,11H,2H2,1H3.
What are the key properties of 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine?
2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine has a molecular weight of 226.68 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 130688681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).