(5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione

C14H18N2O2S — CID 7195463

IUPAC(5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
SMILESCCCCN1C(=O)S[C@@H](Nc2cccc(C)c2)C1=O
InChIInChI=1S/C14H18N2O2S/c1-3-4-8-16-13(17)12(19-14(16)18)15-11-7-5-6-10(2)9-11/h5-7,9,12,15H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKeyDZSMLMDZUGXUEX-GFCCVEGCSA-N
MW278.38 g/mol
LogP3.23
Rot. Bonds5

About (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione

(5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 7195463) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
PubChem CID7195463
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
SMILESCCCCN1C(=O)S[C@@H](Nc2cccc(C)c2)C1=O
InChIInChI=1S/C14H18N2O2S/c1-3-4-8-16-13(17)12(19-14(16)18)15-11-7-5-6-10(2)9-11/h5-7,9,12,15H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKeyDZSMLMDZUGXUEX-GFCCVEGCSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-5-(3-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 2049934
5-(4-methylanilino)-3-[2-(3-methylanilino)ethyl]-1,3-thiazolidine-2,4-dione
CID 16643925
5-(3-methylanilino)-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3730963
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
5-(4-butylanilino)-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 5193553
5-anilino-3-(2-anilinoethyl)-1,3-thiazolidine-2,4-dione
CID 16643928
(5S)-5-(4-methoxyanilino)-3-propyl-1,3-thiazolidine-2,4-dione
CID 51566651
(5S)-3-(2-chloroethyl)-5-(3-nitroanilino)-1,3-thiazolidine-2,4-dione
CID 42416048
2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
CID 5101442
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
CID 95096996
(5R)-3-(2-bromoethyl)-5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione
CID 42416035

Frequently Asked Questions

What is the IUPAC name of (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione (CID 7195463) is (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione is CCCCN1C(=O)S[C@@H](Nc2cccc(C)c2)C1=O.
What is the InChIKey of (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is DZSMLMDZUGXUEX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-4-8-16-13(17)12(19-14(16)18)15-11-7-5-6-10(2)9-11/h5-7,9,12,15H,3-4,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
(5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione has a molecular weight of 278.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-butyl-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7195463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).