4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine

C13H10ClF3N2S — CID 87382746

IUPAC4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Cl)c(-c2csc(NC3CC3)n2)c1
InChIInChI=1S/C13H10ClF3N2S/c14-10-4-1-7(13(15,16)17)5-9(10)11-6-20-12(19-11)18-8-2-3-8/h1,4-6,8H,2-3H2,(H,18,19)
InChIKeyPIFDCWFKIPFHCV-UHFFFAOYSA-N
MW318.75 g/mol
LogP5.06
Rot. Bonds3

About 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine

4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 87382746) has the molecular formula C13H10ClF3N2S and a molecular weight of 318.75 g/mol. Its IUPAC name is 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine
PubChem CID87382746
Molecular FormulaC13H10ClF3N2S
Molecular Weight318.75 g/mol
Exact Mass318.02
IUPAC Name4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(Cl)c(-c2csc(NC3CC3)n2)c1
InChIInChI=1S/C13H10ClF3N2S/c14-10-4-1-7(13(15,16)17)5-9(10)11-6-20-12(19-11)18-8-2-3-8/h1,4-6,8H,2-3H2,(H,18,19)
InChIKeyPIFDCWFKIPFHCV-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.75
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine (CID 87382746) is 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine is FC(F)(F)c1ccc(Cl)c(-c2csc(NC3CC3)n2)c1.
What is the InChIKey of 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is PIFDCWFKIPFHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2S/c14-10-4-1-7(13(15,16)17)5-9(10)11-6-20-12(19-11)18-8-2-3-8/h1,4-6,8H,2-3H2,(H,18,19).
What are the key properties of 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine?
4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 318.75 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-5-(trifluoromethyl)phenyl]-N-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87382746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).