5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine

C14H13ClN4OS2 — CID 1144668

IUPAC5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2sc(N)nc2C)cs1
InChIInChI=1S/C14H13ClN4OS2/c1-7-12(22-13(16)17-7)10-6-21-14(19-10)18-9-5-8(15)3-4-11(9)20-2/h3-6H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyGVFQMXWECALIKN-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.56
Rot. Bonds4

About 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine

5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 1144668) has the molecular formula C14H13ClN4OS2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID1144668
Molecular FormulaC14H13ClN4OS2
Molecular Weight352.87 g/mol
Exact Mass352.02
IUPAC Name5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1Nc1nc(-c2sc(N)nc2C)cs1
InChIInChI=1S/C14H13ClN4OS2/c1-7-12(22-13(16)17-7)10-6-21-14(19-10)18-9-5-8(15)3-4-11(9)20-2/h3-6H,1-2H3,(H2,16,17)(H,18,19)
InChIKeyGVFQMXWECALIKN-UHFFFAOYSA-N
XLogP4.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

Analyze 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine 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 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 1144668) is 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(Cl)cc1Nc1nc(-c2sc(N)nc2C)cs1.
What is the InChIKey of 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GVFQMXWECALIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS2/c1-7-12(22-13(16)17-7)10-6-21-14(19-10)18-9-5-8(15)3-4-11(9)20-2/h3-6H,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 352.87 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1144668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).