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

C17H19N3O3S2 — CID 50831297

IUPAC(4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCCc2cscn2)c1
InChIInChI=1S/C17H19N3O3S2/c1-23-14-4-2-3-12(7-14)17(22)20-11-25-9-15(20)16(21)18-6-5-13-8-24-10-19-13/h2-4,7-8,10,15H,5-6,9,11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyZJVNTUSHQLOCLF-OAHLLOKOSA-N
MW377.49 g/mol
LogP2.03
Rot. Bonds6

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

(4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 50831297) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID50831297
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name(4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCCc2cscn2)c1
InChIInChI=1S/C17H19N3O3S2/c1-23-14-4-2-3-12(7-14)17(22)20-11-25-9-15(20)16(21)18-6-5-13-8-24-10-19-13/h2-4,7-8,10,15H,5-6,9,11H2,1H3,(H,18,21)/t15-/m1/s1
InChIKeyZJVNTUSHQLOCLF-OAHLLOKOSA-N
XLogP2.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-3-benzoyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390015
(4S)-3-(3-methoxybenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973622
(4S)-3-[2-(4-methylphenyl)acetyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390001
N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 43073205
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
(3-methoxyphenyl)-[(1S,5R)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70761678
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
N-(2-methoxyethyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744384
3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 51093664
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 55782323

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 50831297) is (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is COc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCCc2cscn2)c1.
What is the InChIKey of (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZJVNTUSHQLOCLF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-23-14-4-2-3-12(7-14)17(22)20-11-25-9-15(20)16(21)18-6-5-13-8-24-10-19-13/h2-4,7-8,10,15H,5-6,9,11H2,1H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3-methoxybenzoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 50831297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).