(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide

C17H19N3O3S — CID 95327247

IUPAC(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H19N3O3S/c18-9-12-3-5-13(6-4-12)19-17(22)15-10-24-11-20(15)16(21)8-14-2-1-7-23-14/h3-6,14-15H,1-2,7-8,10-11H2,(H,19,22)/t14-,15-/m0/s1
InChIKeyDPJOCASWTLGYGE-GJZGRUSLSA-N
MW345.42 g/mol
LogP1.97
Rot. Bonds4

About (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95327247) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95327247
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H19N3O3S/c18-9-12-3-5-13(6-4-12)19-17(22)15-10-24-11-20(15)16(21)8-14-2-1-7-23-14/h3-6,14-15H,1-2,7-8,10-11H2,(H,19,22)/t14-,15-/m0/s1
InChIKeyDPJOCASWTLGYGE-GJZGRUSLSA-N
XLogP1.97
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 95308769
(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95158933
(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95156736
N-(4-cyanophenyl)-3-(2-isoquinolin-5-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 166356156
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
N-(4-chlorophenyl)-1-[2-(oxan-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 110625911
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
methyl 5-acetyl-2-[2-[(4R)-4-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 95302125
methyl 5-acetyl-2-[2-[(4S)-4-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 95302124
3-(2-chloro-5-nitrobenzoyl)-N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 56530411
(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 95154199
4-(oxolan-2-ylmethylamino)benzonitrile
CID 43176893

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide (CID 95327247) is (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide is N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H]2CCCO2)cc1.
What is the InChIKey of (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DPJOCASWTLGYGE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H19N3O3S/c18-9-12-3-5-13(6-4-12)19-17(22)15-10-24-11-20(15)16(21)8-14-2-1-7-23-14/h3-6,14-15H,1-2,7-8,10-11H2,(H,19,22)/t14-,15-/m0/s1.
What are the key properties of (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95327247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).