(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

C16H21N3O3S — CID 95568340

IUPAC(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C16H21N3O3S/c1-4-15(21)19-9-23-8-14(19)16(22)18-13-7-12(17-11(3)20)6-5-10(13)2/h5-7,14H,4,8-9H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyQZWTZKUKNSOGLJ-AWEZNQCLSA-N
MW335.43 g/mol
LogP2.20
Rot. Bonds4

About (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 95568340) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID95568340
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSC[C@H]1C(=O)Nc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C16H21N3O3S/c1-4-15(21)19-9-23-8-14(19)16(22)18-13-7-12(17-11(3)20)6-5-10(13)2/h5-7,14H,4,8-9H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1
InChIKeyQZWTZKUKNSOGLJ-AWEZNQCLSA-N
XLogP2.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
2-methyl-5-[(3-pentanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119255264
3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222924
(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95326882
N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 24715030
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
N-(2-methylphenyl)-3-(2-thiophen-2-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 122131672
(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95340180
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (CID 95568340) is (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(NC(C)=O)ccc1C.
What is the InChIKey of (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is QZWTZKUKNSOGLJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-15(21)19-9-23-8-14(19)16(22)18-13-7-12(17-11(3)20)6-5-10(13)2/h5-7,14H,4,8-9H2,1-3H3,(H,17,20)(H,18,22)/t14-/m0/s1.
What are the key properties of (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95568340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).