5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

C10H6ClF3N2OS — CID 164893356

IUPAC5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc(OC(F)(F)F)c(Cl)c2)s1
InChIInChI=1S/C10H6ClF3N2OS/c11-6-3-5(8-4-16-9(15)18-8)1-2-7(6)17-10(12,13)14/h1-4H,(H2,15,16)
InChIKeyZZSIEOPBFRNOMI-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.94
Rot. Bonds2

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

5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 164893356) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID164893356
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc(OC(F)(F)F)c(Cl)c2)s1
InChIInChI=1S/C10H6ClF3N2OS/c11-6-3-5(8-4-16-9(15)18-8)1-2-7(6)17-10(12,13)14/h1-4H,(H2,15,16)
InChIKeyZZSIEOPBFRNOMI-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-chloro-4-(trifluoromethoxy)phenyl]-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

Related Compounds

2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 175748253
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242411
2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489254
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
CID 46831438
4-[4-(bromomethyl)phenyl]-2-chloro-1-(trifluoromethoxy)benzene
CID 44627771
3-[3-chloro-4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)pyrazole
CID 175879284
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227788
(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311761
(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312474
6-chloro-5-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118961463
2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine
CID 91926950
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CID 164893356) is 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is Nc1ncc(-c2ccc(OC(F)(F)F)c(Cl)c2)s1.
What is the InChIKey of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ZZSIEOPBFRNOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c11-6-3-5(8-4-16-9(15)18-8)1-2-7(6)17-10(12,13)14/h1-4H,(H2,15,16).
What are the key properties of 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?
5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 294.69 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 164893356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).