N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C17H14BrF3N2OS — CID 3294403

IUPACN-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14BrF3N2OS/c18-13-5-7-14(8-6-13)22-16(24)23-9-10-25-15(23)11-1-3-12(4-2-11)17(19,20)21/h1-8,15H,9-10H2,(H,22,24)
InChIKeyNZXMWSZBQRVJOI-UHFFFAOYSA-N
MW431.28 g/mol
LogP5.75
Rot. Bonds2

About N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 3294403) has the molecular formula C17H14BrF3N2OS and a molecular weight of 431.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID3294403
Molecular FormulaC17H14BrF3N2OS
Molecular Weight431.28 g/mol
Exact Mass430.00
IUPAC NameN-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)N1CCSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14BrF3N2OS/c18-13-5-7-14(8-6-13)22-16(24)23-9-10-25-15(23)11-1-3-12(4-2-11)17(19,20)21/h1-8,15H,9-10H2,(H,22,24)
InChIKeyNZXMWSZBQRVJOI-UHFFFAOYSA-N
XLogP5.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.28
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 3294403) is N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)N1CCSC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is NZXMWSZBQRVJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrF3N2OS/c18-13-5-7-14(8-6-13)22-16(24)23-9-10-25-15(23)11-1-3-12(4-2-11)17(19,20)21/h1-8,15H,9-10H2,(H,22,24).
What are the key properties of N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 3294403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).