N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide

C17H18N2O2S2 — CID 122131672

IUPACN-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CSCN1C(=O)Cc1cccs1
InChIInChI=1S/C17H18N2O2S2/c1-12-5-2-3-7-14(12)18-17(21)15-10-22-11-19(15)16(20)9-13-6-4-8-23-13/h2-8,15H,9-11H2,1H3,(H,18,21)
InChIKeyOCJOPIBENXXPKZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.14
Rot. Bonds4

About N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide

N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 122131672) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
PubChem CID122131672
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC NameN-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CSCN1C(=O)Cc1cccs1
InChIInChI=1S/C17H18N2O2S2/c1-12-5-2-3-7-14(12)18-17(21)15-10-22-11-19(15)16(20)9-13-6-4-8-23-13/h2-8,15H,9-11H2,1H3,(H,18,21)
InChIKeyOCJOPIBENXXPKZ-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
(4R)-N-(2,3-dimethylphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95317689
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
(4S)-3-propanoyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 95292279
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
N-(2-methyl-4-propoxyphenyl)-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 86840341
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 95206484
(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95340180
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide (CID 122131672) is N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide is Cc1ccccc1NC(=O)C1CSCN1C(=O)Cc1cccs1.
What is the InChIKey of N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is OCJOPIBENXXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-12-5-2-3-7-14(12)18-17(21)15-10-22-11-19(15)16(20)9-13-6-4-8-23-13/h2-8,15H,9-11H2,1H3,(H,18,21).
What are the key properties of N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide?
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 122131672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).