N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine

C13H12ClF3N2S — CID 63296417

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Cl)c1NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H12ClF3N2S/c14-9-3-1-2-8(13(15,16)17)11(9)19-12-18-6-10(20-12)7-4-5-7/h1-3,7,10H,4-6H2,(H,18,19)
InChIKeyVHAPDQSGVAAACD-UHFFFAOYSA-N
MW320.77 g/mol
LogP4.65
Rot. Bonds2

About N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine

N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296417) has the molecular formula C13H12ClF3N2S and a molecular weight of 320.77 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296417
Molecular FormulaC13H12ClF3N2S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Cl)c1NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H12ClF3N2S/c14-9-3-1-2-8(13(15,16)17)11(9)19-12-18-6-10(20-12)7-4-5-7/h1-3,7,10H,4-6H2,(H,18,19)
InChIKeyVHAPDQSGVAAACD-UHFFFAOYSA-N
XLogP4.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63296417) is N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)c1cccc(Cl)c1NC1=NCC(C2CC2)S1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VHAPDQSGVAAACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2S/c14-9-3-1-2-8(13(15,16)17)11(9)19-12-18-6-10(20-12)7-4-5-7/h1-3,7,10H,4-6H2,(H,18,19).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 320.77 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).