N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide

C16H14BrFN2OS — CID 4139481

IUPACN-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2OS/c17-12-2-1-3-14(10-12)19-16(21)20-8-9-22-15(20)11-4-6-13(18)7-5-11/h1-7,10,15H,8-9H2,(H,19,21)
InChIKeyYZBRNGBRNMDCKF-UHFFFAOYSA-N
MW381.27 g/mol
LogP4.87
Rot. Bonds2

About N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide

N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4139481) has the molecular formula C16H14BrFN2OS and a molecular weight of 381.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4139481
Molecular FormulaC16H14BrFN2OS
Molecular Weight381.27 g/mol
Exact Mass380.00
IUPAC NameN-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2OS/c17-12-2-1-3-14(10-12)19-16(21)20-8-9-22-15(20)11-4-6-13(18)7-5-11/h1-7,10,15H,8-9H2,(H,19,21)
InChIKeyYZBRNGBRNMDCKF-UHFFFAOYSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 4139481) is N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccc(Br)c1)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is YZBRNGBRNMDCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2OS/c17-12-2-1-3-14(10-12)19-16(21)20-8-9-22-15(20)11-4-6-13(18)7-5-11/h1-7,10,15H,8-9H2,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4139481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).