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

C12H10ClF3N2S — CID 956439

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2cc(C(F)(F)F)ccc2Cl)sc1C
InChIInChI=1S/C12H10ClF3N2S/c1-6-7(2)19-11(17-6)18-10-5-8(12(14,15)16)3-4-9(10)13/h3-5H,1-2H3,(H,17,18)
InChIKeyJZZVZACNVGJZSB-UHFFFAOYSA-N
MW306.74 g/mol
LogP5.18
Rot. Bonds2

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 956439) has the molecular formula C12H10ClF3N2S and a molecular weight of 306.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID956439
Molecular FormulaC12H10ClF3N2S
Molecular Weight306.74 g/mol
Exact Mass306.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2cc(C(F)(F)F)ccc2Cl)sc1C
InChIInChI=1S/C12H10ClF3N2S/c1-6-7(2)19-11(17-6)18-10-5-8(12(14,15)16)3-4-9(10)13/h3-5H,1-2H3,(H,17,18)
InChIKeyJZZVZACNVGJZSB-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.74
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-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 N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 956439) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(Nc2cc(C(F)(F)F)ccc2Cl)sc1C.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is JZZVZACNVGJZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2S/c1-6-7(2)19-11(17-6)18-10-5-8(12(14,15)16)3-4-9(10)13/h3-5H,1-2H3,(H,17,18).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 306.74 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 956439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).