(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide

C19H21BrN2OS — CID 1025816

IUPAC(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2OS/c1-13(2)14-7-9-15(10-8-14)18-22(11-12-24-18)19(23)21-17-6-4-3-5-16(17)20/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyRRODHBZMTCHBRA-GOSISDBHSA-N
MW405.36 g/mol
LogP5.85
Rot. Bonds3

About (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide

(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025816) has the molecular formula C19H21BrN2OS and a molecular weight of 405.36 g/mol. Its IUPAC name is (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025816
Molecular FormulaC19H21BrN2OS
Molecular Weight405.36 g/mol
Exact Mass404.06
IUPAC Name(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2OS/c1-13(2)14-7-9-15(10-8-14)18-22(11-12-24-18)19(23)21-17-6-4-3-5-16(17)20/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyRRODHBZMTCHBRA-GOSISDBHSA-N
XLogP5.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.36
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4145535
(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418004
N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077872
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
(2R)-N-(2-bromophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7297065
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077565
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
(2S)-2-chloro-2-phenyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 1024855
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025816) is (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is CC(C)c1ccc([C@H]2SCCN2C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is RRODHBZMTCHBRA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21BrN2OS/c1-13(2)14-7-9-15(10-8-14)18-22(11-12-24-18)19(23)21-17-6-4-3-5-16(17)20/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 405.36 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).