(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine

C6H6ClF3N2S — CID 107126160

IUPAC(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ncc(Cl)s1
InChIInChI=1S/C6H6ClF3N2S/c7-4-2-12-5(13-4)3(11)1-6(8,9)10/h2-3H,1,11H2/t3-/m0/s1
InChIKeyPPDHABJJVYAGNM-VKHMYHEASA-N
MW230.64 g/mol
LogP2.75
Rot. Bonds2

About (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine

(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 107126160) has the molecular formula C6H6ClF3N2S and a molecular weight of 230.64 g/mol. Its IUPAC name is (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID107126160
Molecular FormulaC6H6ClF3N2S
Molecular Weight230.64 g/mol
Exact Mass229.99
IUPAC Name(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ncc(Cl)s1
InChIInChI=1S/C6H6ClF3N2S/c7-4-2-12-5(13-4)3(11)1-6(8,9)10/h2-3H,1,11H2/t3-/m0/s1
InChIKeyPPDHABJJVYAGNM-VKHMYHEASA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-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 (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine (CID 107126160) is (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine is N[C@@H](CC(F)(F)F)c1ncc(Cl)s1.
What is the InChIKey of (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is PPDHABJJVYAGNM-VKHMYHEASA-N. The full InChI is InChI=1S/C6H6ClF3N2S/c7-4-2-12-5(13-4)3(11)1-6(8,9)10/h2-3H,1,11H2/t3-/m0/s1.
What are the key properties of (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine?
(1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 230.64 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chloro-1,3-thiazol-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 107126160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).