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

C11H13N3OS — CID 82059206

IUPAC2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCOc1cc(N)ccc1Nc1nc(C)cs1
InChIInChI=1S/C11H13N3OS/c1-7-6-16-11(13-7)14-9-4-3-8(12)5-10(9)15-2/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyZSJOGQOBEHXTSF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.79
Rot. Bonds3

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

2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine (PubChem CID 82059206) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine
PubChem CID82059206
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESCOc1cc(N)ccc1Nc1nc(C)cs1
InChIInChI=1S/C11H13N3OS/c1-7-6-16-11(13-7)14-9-4-3-8(12)5-10(9)15-2/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyZSJOGQOBEHXTSF-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine (CID 82059206) is 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine is COc1cc(N)ccc1Nc1nc(C)cs1.
What is the InChIKey of 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The InChIKey is ZSJOGQOBEHXTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-6-16-11(13-7)14-9-4-3-8(12)5-10(9)15-2/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-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 2-methoxy-1-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 82059206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).