N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide

C19H15BrF6N2O2S — CID 122329874

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(C2SCCN2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C19H15BrF6N2O2S/c1-30-15-3-2-10(6-14(15)20)16-28(4-5-31-16)17(29)27-13-8-11(18(21,22)23)7-12(9-13)19(24,25)26/h2-3,6-9,16H,4-5H2,1H3,(H,27,29)
InChIKeyRQEWGZFAYGAVCG-UHFFFAOYSA-N
MW529.30 g/mol
LogP6.77
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122329874) has the molecular formula C19H15BrF6N2O2S and a molecular weight of 529.30 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122329874
Molecular FormulaC19H15BrF6N2O2S
Molecular Weight529.30 g/mol
Exact Mass527.99
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(C2SCCN2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C19H15BrF6N2O2S/c1-30-15-3-2-10(6-14(15)20)16-28(4-5-31-16)17(29)27-13-8-11(18(21,22)23)7-12(9-13)19(24,25)26/h2-3,6-9,16H,4-5H2,1H3,(H,27,29)
InChIKeyRQEWGZFAYGAVCG-UHFFFAOYSA-N
XLogP6.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.30
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-bromophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328975
2-(3-bromo-4-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 45153968
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4284700
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122345663
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
2-(3,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4572811
N-(3-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4088572
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077
[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122329915
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2,3,4-trifluorophenyl)methanone
CID 122329922
(2S)-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7419036

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 122329874) is N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is COc1ccc(C2SCCN2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Br.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is RQEWGZFAYGAVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF6N2O2S/c1-30-15-3-2-10(6-14(15)20)16-28(4-5-31-16)17(29)27-13-8-11(18(21,22)23)7-12(9-13)19(24,25)26/h2-3,6-9,16H,4-5H2,1H3,(H,27,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 529.30 g/mol, XLogP of 6.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122329874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).