3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide

C17H18N2O3S — CID 75384637

IUPAC3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CSCN2C(=O)Cc2ccco2)c1
InChIInChI=1S/C17H18N2O3S/c1-12-4-2-5-13(8-12)18-17(21)15-10-23-11-19(15)16(20)9-14-6-3-7-22-14/h2-8,15H,9-11H2,1H3,(H,18,21)
InChIKeyJTPQTAXGRMQEDJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.67
Rot. Bonds4

About 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide

3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 75384637) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID75384637
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CSCN2C(=O)Cc2ccco2)c1
InChIInChI=1S/C17H18N2O3S/c1-12-4-2-5-13(8-12)18-17(21)15-10-23-11-19(15)16(20)9-14-6-3-7-22-14/h2-8,15H,9-11H2,1H3,(H,18,21)
InChIKeyJTPQTAXGRMQEDJ-UHFFFAOYSA-N
XLogP2.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95303764
3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 72693701
N-(3,4-dimethylphenyl)-3-(furan-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 3398465
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
N-(3,4-dimethylphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 72685669
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 95287154
(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 53211524
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224881
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 75384637) is 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1cccc(NC(=O)C2CSCN2C(=O)Cc2ccco2)c1.
What is the InChIKey of 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JTPQTAXGRMQEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-4-2-5-13(8-12)18-17(21)15-10-23-11-19(15)16(20)9-14-6-3-7-22-14/h2-8,15H,9-11H2,1H3,(H,18,21).
What are the key properties of 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 75384637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).