[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine

C15H14N2OS — CID 170352699

IUPAC[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
SMILESCOc1ccc2sc(-c3ccc(CN)cc3)nc2c1
InChIInChI=1S/C15H14N2OS/c1-18-12-6-7-14-13(8-12)17-15(19-14)11-4-2-10(9-16)3-5-11/h2-8H,9,16H2,1H3
InChIKeyVUXIQLLCBSOMJZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.43
Rot. Bonds3

About [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine

[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine (PubChem CID 170352699) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
PubChem CID170352699
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
SMILESCOc1ccc2sc(-c3ccc(CN)cc3)nc2c1
InChIInChI=1S/C15H14N2OS/c1-18-12-6-7-14-13(8-12)17-15(19-14)11-4-2-10(9-16)3-5-11/h2-8H,9,16H2,1H3
InChIKeyVUXIQLLCBSOMJZ-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 84628462
5-methoxy-2-[4-[(E)-2-(4-nitrosophenyl)ethenyl]phenyl]-1,3-benzothiazole
CID 88927246
5-methoxy-2-[5-(5-methoxy-1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 86116798
5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
CID 134434727
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-amino-N-[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]acetamide;hydrochloride
CID 142322408
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 66767985
N-[[5-(5-methoxy-1,3-benzothiazol-2-yl)-3-pyridinyl]methyl]methanesulfonamide
CID 134434300
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine (CID 170352699) is [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine is COc1ccc2sc(-c3ccc(CN)cc3)nc2c1.
What is the InChIKey of [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine?
The InChIKey is VUXIQLLCBSOMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-12-6-7-14-13(8-12)17-15(19-14)11-4-2-10(9-16)3-5-11/h2-8H,9,16H2,1H3.
What are the key properties of [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine?
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine has a molecular weight of 270.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 170352699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).