(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide

C17H16BrFN2O2S — CID 99986077

IUPAC(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(F)c(Br)c1
InChIInChI=1S/C17H16BrFN2O2S/c1-23-15-5-3-2-4-14(15)20-17(22)21-8-9-24-16(21)11-6-7-13(19)12(18)10-11/h2-7,10,16H,8-9H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyTZDHZDLQNGRGID-MRXNPFEDSA-N
MW411.30 g/mol
LogP4.88
Rot. Bonds3

About (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide

(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 99986077) has the molecular formula C17H16BrFN2O2S and a molecular weight of 411.30 g/mol. Its IUPAC name is (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID99986077
Molecular FormulaC17H16BrFN2O2S
Molecular Weight411.30 g/mol
Exact Mass410.01
IUPAC Name(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(F)c(Br)c1
InChIInChI=1S/C17H16BrFN2O2S/c1-23-15-5-3-2-4-14(15)20-17(22)21-8-9-24-16(21)11-6-7-13(19)12(18)10-11/h2-7,10,16H,8-9H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyTZDHZDLQNGRGID-MRXNPFEDSA-N
XLogP4.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5168614
2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 45153968
2-(3,5-dimethoxyphenyl)-N-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 42781204
N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077565
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122329874
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418004
[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329922
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122345663
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5210443

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 99986077) is (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccccc1NC(=O)N1CCS[C@@H]1c1ccc(F)c(Br)c1.
What is the InChIKey of (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is TZDHZDLQNGRGID-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16BrFN2O2S/c1-23-15-5-3-2-4-14(15)20-17(22)21-8-9-24-16(21)11-6-7-13(19)12(18)10-11/h2-7,10,16H,8-9H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 99986077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).