(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

C20H19N3O3S3 — CID 20973622

IUPAC(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C20H19N3O3S3/c1-26-15-5-2-4-13(8-15)20(25)23-12-27-11-16(23)18(24)21-9-14-10-29-19(22-14)17-6-3-7-28-17/h2-8,10,16H,9,11-12H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyDWQMPBUWHCBBJV-MRXNPFEDSA-N
MW445.59 g/mol
LogP3.71
Rot. Bonds6

About (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 20973622) has the molecular formula C20H19N3O3S3 and a molecular weight of 445.59 g/mol. Its IUPAC name is (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID20973622
Molecular FormulaC20H19N3O3S3
Molecular Weight445.59 g/mol
Exact Mass445.06
IUPAC Name(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C20H19N3O3S3/c1-26-15-5-2-4-13(8-15)20(25)23-12-27-11-16(23)18(24)21-9-14-10-29-19(22-14)17-6-3-7-28-17/h2-8,10,16H,9,11-12H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyDWQMPBUWHCBBJV-MRXNPFEDSA-N
XLogP3.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973637
(4S)-3-(2-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973635
(4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 50831297
(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973647
N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 43073205
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
1-(3-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973351
1-(3,4-difluorobenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 20973358
(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 95737503
(5S)-3-[(4-methoxyphenyl)methyl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42499385
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
CID 27264242

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 20973622) is (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is COc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)c1.
What is the InChIKey of (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DWQMPBUWHCBBJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N3O3S3/c1-26-15-5-2-4-13(8-15)20(25)23-12-27-11-16(23)18(24)21-9-14-10-29-19(22-14)17-6-3-7-28-17/h2-8,10,16H,9,11-12H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 445.59 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 20973622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).