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

C6H6ClF3N2S — CID 83151949

IUPAC4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)cs1
InChIInChI=1S/C6H6ClF3N2S/c7-4-3-13-5(12-4)11-2-1-6(8,9)10/h3H,1-2H2,(H,11,12)
InChIKeyMXUYICNZFXYIQU-UHFFFAOYSA-N
MW230.64 g/mol
LogP3.16
Rot. Bonds3

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

4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (PubChem CID 83151949) has the molecular formula C6H6ClF3N2S and a molecular weight of 230.64 g/mol. Its IUPAC name is 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
PubChem CID83151949
Molecular FormulaC6H6ClF3N2S
Molecular Weight230.64 g/mol
Exact Mass229.99
IUPAC Name4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)CCNc1nc(Cl)cs1
InChIInChI=1S/C6H6ClF3N2S/c7-4-3-13-5(12-4)11-2-1-6(8,9)10/h3H,1-2H2,(H,11,12)
InChIKeyMXUYICNZFXYIQU-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (CID 83151949) is 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is FC(F)(F)CCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The InChIKey is MXUYICNZFXYIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2S/c7-4-3-13-5(12-4)11-2-1-6(8,9)10/h3H,1-2H2,(H,11,12).
What are the key properties of 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine has a molecular weight of 230.64 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83151949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).