N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide

C15H20N2O3S — CID 56785175

IUPACN-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CSCN2C(=O)C(C)C)cc1
InChIInChI=1S/C15H20N2O3S/c1-10(2)15(19)17-9-21-8-13(17)14(18)16-11-4-6-12(20-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)
InChIKeyGVPCOGXDPJDAFA-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.19
Rot. Bonds4

About N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide

N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 56785175) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID56785175
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CSCN2C(=O)C(C)C)cc1
InChIInChI=1S/C15H20N2O3S/c1-10(2)15(19)17-9-21-8-13(17)14(18)16-11-4-6-12(20-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)
InChIKeyGVPCOGXDPJDAFA-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95233109
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
(4S)-N-(4-methoxyphenyl)-3-(5-methyl-4-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95155527
(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95340180
(4R)-N-(4-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 99805889
(4R)-3-[(2S)-2-aminopropanoyl]-N-(4-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 136742385
(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 809737
tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564467
3-[2-methoxyethyl(methyl)sulfamoyl]-N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 75463441
(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 682155
3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 51093664
(4S)-N-(4-cyanophenyl)-3-(2-methoxyacetyl)-1,3-thiazolidine-4-carboxamide
CID 95308769

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 56785175) is N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(NC(=O)C2CSCN2C(=O)C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GVPCOGXDPJDAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)15(19)17-9-21-8-13(17)14(18)16-11-4-6-12(20-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 56785175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).