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

C15H15N3OS — CID 79142176

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(CNc2nc3ccc(C)cc3s2)cn1
InChIInChI=1S/C15H15N3OS/c1-10-3-5-12-13(7-10)20-15(18-12)17-9-11-4-6-14(19-2)16-8-11/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyPXTBNGKPPKJDIY-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.62
Rot. Bonds4

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

N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79142176) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79142176
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(CNc2nc3ccc(C)cc3s2)cn1
InChIInChI=1S/C15H15N3OS/c1-10-3-5-12-13(7-10)20-15(18-12)17-9-11-4-6-14(19-2)16-8-11/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyPXTBNGKPPKJDIY-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

N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
4-[[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]benzonitrile
CID 79142596
N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142914
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 79143632
6-ethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,3-benzothiazol-2-amine
CID 108775753
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine (CID 79142176) is N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine is COc1ccc(CNc2nc3ccc(C)cc3s2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is PXTBNGKPPKJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-3-5-12-13(7-10)20-15(18-12)17-9-11-4-6-14(19-2)16-8-11/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-6-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 N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).