4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine

C11H13N3OS — CID 82059167

IUPAC4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCOc1ccc(Nc2ncc(C)s2)cc1N
InChIInChI=1S/C11H13N3OS/c1-7-6-13-11(16-7)14-8-3-4-10(15-2)9(12)5-8/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyHZJMGWHQRQVCHA-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.79
Rot. Bonds3

About 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine

4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine (PubChem CID 82059167) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
PubChem CID82059167
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
SMILESCOc1ccc(Nc2ncc(C)s2)cc1N
InChIInChI=1S/C11H13N3OS/c1-7-6-13-11(16-7)14-8-3-4-10(15-2)9(12)5-8/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyHZJMGWHQRQVCHA-UHFFFAOYSA-N
XLogP2.79
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059164
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
4-[(5-methyl-1,3-thiazol-2-yl)amino]phenol
CID 82059170
5-amino-2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 61092626
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
1-(3,4-dimethoxyphenyl)-2-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111817273
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
3-N-(3,4-dimethoxyphenyl)-5-fluorobenzene-1,3-diamine
CID 60876893
5-(3,4-dimethoxyanilino)pyridine-2-carbothioamide
CID 115488099
(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559005

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine (CID 82059167) is 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine is COc1ccc(Nc2ncc(C)s2)cc1N.
What is the InChIKey of 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
The InChIKey is HZJMGWHQRQVCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-6-13-11(16-7)14-8-3-4-10(15-2)9(12)5-8/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine?
4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine has a molecular weight of 235.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 82059167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).