5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C16H8Cl3F3N2S — CID 46501170

IUPAC5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(Nc2cc(Cl)ccc2Cl)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H8Cl3F3N2S/c17-9-3-1-8(2-4-9)13-14(16(20,21)22)24-15(25-13)23-12-7-10(18)5-6-11(12)19/h1-7H,(H,23,24)
InChIKeyNDTCDFQHBMVUTN-UHFFFAOYSA-N
MW423.67 g/mol
LogP7.53
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 46501170) has the molecular formula C16H8Cl3F3N2S and a molecular weight of 423.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID46501170
Molecular FormulaC16H8Cl3F3N2S
Molecular Weight423.67 g/mol
Exact Mass421.94
IUPAC Name5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(Nc2cc(Cl)ccc2Cl)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H8Cl3F3N2S/c17-9-3-1-8(2-4-9)13-14(16(20,21)22)24-15(25-13)23-12-7-10(18)5-6-11(12)19/h1-7H,(H,23,24)
InChIKeyNDTCDFQHBMVUTN-UHFFFAOYSA-N
XLogP7.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.67
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-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 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 46501170) is 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1nc(Nc2cc(Cl)ccc2Cl)sc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is NDTCDFQHBMVUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3F3N2S/c17-9-3-1-8(2-4-9)13-14(16(20,21)22)24-15(25-13)23-12-7-10(18)5-6-11(12)19/h1-7H,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 423.67 g/mol, XLogP of 7.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46501170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).