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

C16H14BrFN2OS — CID 122328956

IUPAC2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCSC1c1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2OS/c17-12-6-4-11(5-7-12)15-20(8-9-22-15)16(21)19-14-3-1-2-13(18)10-14/h1-7,10,15H,8-9H2,(H,19,21)
InChIKeyBVLWVHTYQJWEPI-UHFFFAOYSA-N
MW381.27 g/mol
LogP4.87
Rot. Bonds2

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

2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122328956) has the molecular formula C16H14BrFN2OS and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122328956
Molecular FormulaC16H14BrFN2OS
Molecular Weight381.27 g/mol
Exact Mass380.00
IUPAC Name2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCSC1c1ccc(Br)cc1
InChIInChI=1S/C16H14BrFN2OS/c17-12-6-4-11(5-7-12)15-20(8-9-22-15)16(21)19-14-3-1-2-13(18)10-14/h1-7,10,15H,8-9H2,(H,19,21)
InChIKeyBVLWVHTYQJWEPI-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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Related Compounds

N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4170516
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
N-(3-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carboxamide
CID 3329326
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-bromophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328975
N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
N-(3-fluorophenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330644
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359543
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 122328956) is 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccc(F)c1)N1CCSC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is BVLWVHTYQJWEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2OS/c17-12-6-4-11(5-7-12)15-20(8-9-22-15)16(21)19-14-3-1-2-13(18)10-14/h1-7,10,15H,8-9H2,(H,19,21).
What are the key properties of 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
2-(4-bromophenyl)-N-(3-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 2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122328956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).