6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine

C15H15N3OS — CID 114701205

IUPAC6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCc3ccncc3C)sc2c1
InChIInChI=1S/C15H15N3OS/c1-10-8-16-6-5-11(10)9-17-15-18-13-4-3-12(19-2)7-14(13)20-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyPIOFJCXVWIDHDH-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.62
Rot. Bonds4

About 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine

6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 114701205) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID114701205
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NCc3ccncc3C)sc2c1
InChIInChI=1S/C15H15N3OS/c1-10-8-16-6-5-11(10)9-17-15-18-13-4-3-12(19-2)7-14(13)20-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyPIOFJCXVWIDHDH-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 108779961
6-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518208
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 162380148
methyl 5-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
CID 114702175
N-(3H-imidazo[4,5-c]pyridin-2-yl)-6-methoxy-1,3-benzothiazol-2-amine
CID 44523387
4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 114702177
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698554
6-methoxy-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79518809
6-methoxy-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 79519042

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine (CID 114701205) is 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine is COc1ccc2nc(NCc3ccncc3C)sc2c1.
What is the InChIKey of 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is PIOFJCXVWIDHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-8-16-6-5-11(10)9-17-15-18-13-4-3-12(19-2)7-14(13)20-15/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114701205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).