N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide

C15H22N2OS — CID 143393756

IUPACN-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSC(c2ccc(C)cc2)N1
InChIInChI=1S/C15H22N2OS/c1-4-11(3)16-14(18)13-9-19-15(17-13)12-7-5-10(2)6-8-12/h5-8,11,13,15,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyGRJGVGIFFRBXDQ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.61
Rot. Bonds4

About N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide

N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 143393756) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID143393756
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CSC(c2ccc(C)cc2)N1
InChIInChI=1S/C15H22N2OS/c1-4-11(3)16-14(18)13-9-19-15(17-13)12-7-5-10(2)6-8-12/h5-8,11,13,15,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyGRJGVGIFFRBXDQ-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 102101973
(4R)-2-(4-ethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146631
ethyl (4R)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 12748111
2-phenyl-1,3-thiazolidine-4-carbohydrazide
CID 3064949
3-(4,5-didehydro-1H-indol-3-yl)-2-[[(4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 166898330
methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)amino]pentanoate
CID 14881578
(4R)-2-[4-[(2-chloroacetyl)amino]phenyl]-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 46232043
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131692
N-butan-2-yl-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53006937
2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
(3R,9bS)-N-[(2R)-butan-2-yl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7735025

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 143393756) is N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide is CCC(C)NC(=O)C1CSC(c2ccc(C)cc2)N1.
What is the InChIKey of N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GRJGVGIFFRBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-11(3)16-14(18)13-9-19-15(17-13)12-7-5-10(2)6-8-12/h5-8,11,13,15,17H,4,9H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide?
N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 143393756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).