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

C7H7ClF2N2S — CID 131038137

IUPAC2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine
SMILESFC1(F)CC(Nc2csc(Cl)n2)C1
InChIInChI=1S/C7H7ClF2N2S/c8-6-12-5(3-13-6)11-4-1-7(9,10)2-4/h3-4,11H,1-2H2
InChIKeyJFVFNQOSSIVTRL-UHFFFAOYSA-N
MW224.66 g/mol
LogP3.01
Rot. Bonds2

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

2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine (PubChem CID 131038137) has the molecular formula C7H7ClF2N2S and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine
PubChem CID131038137
Molecular FormulaC7H7ClF2N2S
Molecular Weight224.66 g/mol
Exact Mass224.00
IUPAC Name2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine
SMILESFC1(F)CC(Nc2csc(Cl)n2)C1
InChIInChI=1S/C7H7ClF2N2S/c8-6-12-5(3-13-6)11-4-1-7(9,10)2-4/h3-4,11H,1-2H2
InChIKeyJFVFNQOSSIVTRL-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine (CID 131038137) is 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine is FC1(F)CC(Nc2csc(Cl)n2)C1.
What is the InChIKey of 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine?
The InChIKey is JFVFNQOSSIVTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2S/c8-6-12-5(3-13-6)11-4-1-7(9,10)2-4/h3-4,11H,1-2H2.
What are the key properties of 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine?
2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine has a molecular weight of 224.66 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-difluorocyclobutyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 131038137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).