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

C14H15N3O3S — CID 95308769

IUPAC(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H15N3O3S/c1-20-7-13(18)17-9-21-8-12(17)14(19)16-11-4-2-10(6-15)3-5-11/h2-5,12H,7-9H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyKTIIGMIGNLMLJI-GFCCVEGCSA-N
MW305.36 g/mol
LogP1.04
Rot. Bonds4

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

(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95308769) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95308769
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
SMILESCOCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H15N3O3S/c1-20-7-13(18)17-9-21-8-12(17)14(19)16-11-4-2-10(6-15)3-5-11/h2-5,12H,7-9H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyKTIIGMIGNLMLJI-GFCCVEGCSA-N
XLogP1.04
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-(4-cyanophenyl)-3-(cyclopropanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95156736
(4S)-N-(4-cyanophenyl)-3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95158933
(4R)-N-(4-cyanophenyl)-3-[2-[(2S)-oxolan-2-yl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 95327247
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
(4R)-N-(4-fluorophenyl)-3-[2-(2-methoxyethoxy)acetyl]-1,3-thiazolidine-4-carboxamide
CID 95233038
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
(4R)-N-(4-cyanophenyl)-3-[(E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 95154199
3-(2-chloro-5-nitrobenzoyl)-N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 56530411
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
3-(1-chloroisoquinoline-3-carbonyl)-N-(4-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 56530096

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide (CID 95308769) is (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide is COCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is KTIIGMIGNLMLJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-20-7-13(18)17-9-21-8-12(17)14(19)16-11-4-2-10(6-15)3-5-11/h2-5,12H,7-9H2,1H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95308769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).