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

C14H13N3S — CID 47283149

IUPACN-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1cccc(CNc2nc3ccccc3s2)n1
InChIInChI=1S/C14H13N3S/c1-10-5-4-6-11(16-10)9-15-14-17-12-7-2-3-8-13(12)18-14/h2-8H,9H2,1H3,(H,15,17)
InChIKeyVFGXGBJJHKOLDS-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds3

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

N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 47283149) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID47283149
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1cccc(CNc2nc3ccccc3s2)n1
InChIInChI=1S/C14H13N3S/c1-10-5-4-6-11(16-10)9-15-14-17-12-7-2-3-8-13(12)18-14/h2-8H,9H2,1H3,(H,15,17)
InChIKeyVFGXGBJJHKOLDS-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 1090335
N-[[3-(chloromethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 65028278
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 63239425
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
4-[(1,3-benzothiazol-2-ylamino)methyl]benzonitrile
CID 47267559
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine (CID 47283149) is N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine is Cc1cccc(CNc2nc3ccccc3s2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is VFGXGBJJHKOLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-5-4-6-11(16-10)9-15-14-17-12-7-2-3-8-13(12)18-14/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine?
N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 47283149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).