(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide

C23H19N3O2S — CID 1025382

IUPAC(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCS[C@H]2c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C23H19N3O2S/c24-16-17-9-11-19(12-10-17)25-23(27)26-13-14-29-22(26)18-5-4-8-21(15-18)28-20-6-2-1-3-7-20/h1-12,15,22H,13-14H2,(H,25,27)/t22-/m0/s1
InChIKeyDHDVVQYZNRIHTD-QFIPXVFZSA-N
MW401.49 g/mol
LogP5.63
Rot. Bonds4

About (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide

(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025382) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025382
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCS[C@H]2c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C23H19N3O2S/c24-16-17-9-11-19(12-10-17)25-23(27)26-13-14-29-22(26)18-5-4-8-21(15-18)28-20-6-2-1-3-7-20/h1-12,15,22H,13-14H2,(H,25,27)/t22-/m0/s1
InChIKeyDHDVVQYZNRIHTD-QFIPXVFZSA-N
XLogP5.63
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-phenoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 1025278
(2S)-N-(4-chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025269
2-(3-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4069010
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025273
(2R)-N-(2-ethoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025381
(2S)-N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 1025146
2-phenoxy-1-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4533874
N-(4-cyanophenyl)-2-(1-methylpyrrol-2-yl)-1,3-thiazolidine-3-carboxamide
CID 4575110
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4047301
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025382) is (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide is N#Cc1ccc(NC(=O)N2CCS[C@H]2c2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is DHDVVQYZNRIHTD-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19N3O2S/c24-16-17-9-11-19(12-10-17)25-23(27)26-13-14-29-22(26)18-5-4-8-21(15-18)28-20-6-2-1-3-7-20/h1-12,15,22H,13-14H2,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyanophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).