(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C16H16N2O3S2 — CID 95233109

IUPAC(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccsc2)cc1
InChIInChI=1S/C16H16N2O3S2/c1-21-13-4-2-12(3-5-13)17-15(19)14-9-23-10-18(14)16(20)11-6-7-22-8-11/h2-8,14H,9-10H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyKQYYGHCHFKDXPS-CQSZACIVSA-N
MW348.45 g/mol
LogP2.91
Rot. Bonds4

About (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95233109) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95233109
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccsc2)cc1
InChIInChI=1S/C16H16N2O3S2/c1-21-13-4-2-12(3-5-13)17-15(19)14-9-23-10-18(14)16(20)11-6-7-22-8-11/h2-8,14H,9-10H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyKQYYGHCHFKDXPS-CQSZACIVSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175
(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95317689
(4S)-N-(4-methoxyphenyl)-3-(5-methyl-4-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95155527
(4R)-N-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 99805889
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980480
(2S)-1-(thiophene-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(thiophene-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768765
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
1-[4-[3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carbonyl]piperazin-1-yl]ethanone
CID 3960804
ethyl 4-[[3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]benzoate
CID 166597024
(4R)-3-benzoyl-N-[4-(diethylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55942502

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95233109) is (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccsc2)cc1.
What is the InChIKey of (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is KQYYGHCHFKDXPS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-21-13-4-2-12(3-5-13)17-15(19)14-9-23-10-18(14)16(20)11-6-7-22-8-11/h2-8,14H,9-10H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95233109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).