[2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone

C17H10ClF3N2OS — CID 87085264

IUPAC[2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
SMILESNc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1
InChIInChI=1S/C17H10ClF3N2OS/c18-12-7-2-1-6-11(12)14(24)15-13(23-16(22)25-15)9-4-3-5-10(8-9)17(19,20)21/h1-8H,(H2,22,23)
InChIKeyRMCVXYXUPFYXHF-UHFFFAOYSA-N
MW382.79 g/mol
LogP5.30
Rot. Bonds3

About [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone

[2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone (PubChem CID 87085264) has the molecular formula C17H10ClF3N2OS and a molecular weight of 382.79 g/mol. Its IUPAC name is [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
PubChem CID87085264
Molecular FormulaC17H10ClF3N2OS
Molecular Weight382.79 g/mol
Exact Mass382.02
IUPAC Name[2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone
SMILESNc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1
InChIInChI=1S/C17H10ClF3N2OS/c18-12-7-2-1-6-11(12)14(24)15-13(23-16(22)25-15)9-4-3-5-10(8-9)17(19,20)21/h1-8H,(H2,22,23)
InChIKeyRMCVXYXUPFYXHF-UHFFFAOYSA-N
XLogP5.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.79
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone (CID 87085264) is [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone is Nc1nc(-c2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2Cl)s1.
What is the InChIKey of [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
The InChIKey is RMCVXYXUPFYXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2OS/c18-12-7-2-1-6-11(12)14(24)15-13(23-16(22)25-15)9-4-3-5-10(8-9)17(19,20)21/h1-8H,(H2,22,23).
What are the key properties of [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone?
[2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone has a molecular weight of 382.79 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 87085264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).