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

C11H13N3OS — CID 82476196

IUPAC4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1NCc1csc(N)n1
InChIInChI=1S/C11H13N3OS/c1-15-10-5-3-2-4-9(10)13-6-8-7-16-11(12)14-8/h2-5,7,13H,6H2,1H3,(H2,12,14)
InChIKeyADGOBJCWGQXFSX-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.35
Rot. Bonds4

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

4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 82476196) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
PubChem CID82476196
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1NCc1csc(N)n1
InChIInChI=1S/C11H13N3OS/c1-15-10-5-3-2-4-9(10)13-6-8-7-16-11(12)14-8/h2-5,7,13H,6H2,1H3,(H2,12,14)
InChIKeyADGOBJCWGQXFSX-UHFFFAOYSA-N
XLogP2.35
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
4-[(2-ethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475643
4-[(2-fluoroanilino)methyl]-1,3-thiazol-2-amine
CID 82473163
4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475642
6-[(2-methoxyanilino)methyl]pyridin-3-amine
CID 105486827
4-[(2,3-dichloroanilino)methyl]-1,3-thiazol-2-amine
CID 96669371
2-[4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 9027489
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 62799997
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
5-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 155816216
2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54865790
2-(2-amino-1,3-thiazol-4-yl)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62799641

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine (CID 82476196) is 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine is COc1ccccc1NCc1csc(N)n1.
What is the InChIKey of 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is ADGOBJCWGQXFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-10-5-3-2-4-9(10)13-6-8-7-16-11(12)14-8/h2-5,7,13H,6H2,1H3,(H2,12,14).
What are the key properties of 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine?
4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82476196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).