2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one

C15H19ClN2OS — CID 142006995

IUPAC2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one
SMILESCCC(C)CN1C(=O)CS/C1=N\c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H19ClN2OS/c1-4-10(2)8-18-14(19)9-20-15(18)17-12-6-5-11(3)13(16)7-12/h5-7,10H,4,8-9H2,1-3H3/b17-15-
InChIKeyNNGKMEOWKBGCKC-ICFOKQHNSA-N
MW310.85 g/mol
LogP4.26
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one

2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one (PubChem CID 142006995) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one
PubChem CID142006995
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one
SMILESCCC(C)CN1C(=O)CS/C1=N\c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H19ClN2OS/c1-4-10(2)8-18-14(19)9-20-15(18)17-12-6-5-11(3)13(16)7-12/h5-7,10H,4,8-9H2,1-3H3/b17-15-
InChIKeyNNGKMEOWKBGCKC-ICFOKQHNSA-N
XLogP4.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one (CID 142006995) is 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one is CCC(C)CN1C(=O)CS/C1=N\c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one?
The InChIKey is NNGKMEOWKBGCKC-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-4-10(2)8-18-14(19)9-20-15(18)17-12-6-5-11(3)13(16)7-12/h5-7,10H,4,8-9H2,1-3H3/b17-15-.
What are the key properties of 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one?
2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one has a molecular weight of 310.85 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)imino-3-(2-methylbutyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 142006995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).