(5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one

C14H11Cl2N3OS2 — CID 42107373

IUPAC(5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S[C@H](C)C(=O)N1c1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H11Cl2N3OS2/c1-7-12(20)19(13(17)21-7)14-18-6-10(22-14)4-8-2-3-9(15)5-11(8)16/h2-3,5-7,17H,4H2,1H3/b17-13-/t7-/m1/s1
InChIKeyCPNIXUAETWIPBI-REWHPJLXSA-N
MW372.30 g/mol
LogP4.44
Rot. Bonds3

About (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one

(5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 42107373) has the molecular formula C14H11Cl2N3OS2 and a molecular weight of 372.30 g/mol. Its IUPAC name is (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID42107373
Molecular FormulaC14H11Cl2N3OS2
Molecular Weight372.30 g/mol
Exact Mass370.97
IUPAC Name(5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S[C@H](C)C(=O)N1c1ncc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H11Cl2N3OS2/c1-7-12(20)19(13(17)21-7)14-18-6-10(22-14)4-8-2-3-9(15)5-11(8)16/h2-3,5-7,17H,4H2,1H3/b17-13-/t7-/m1/s1
InChIKeyCPNIXUAETWIPBI-REWHPJLXSA-N
XLogP4.44
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one (CID 42107373) is (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one is [H]/N=C1\S[C@H](C)C(=O)N1c1ncc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is CPNIXUAETWIPBI-REWHPJLXSA-N. The full InChI is InChI=1S/C14H11Cl2N3OS2/c1-7-12(20)19(13(17)21-7)14-18-6-10(22-14)4-8-2-3-9(15)5-11(8)16/h2-3,5-7,17H,4H2,1H3/b17-13-/t7-/m1/s1.
What are the key properties of (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one?
(5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 372.30 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42107373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).