2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine

C14H13N3S — CID 43682641

IUPAC2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3ccccn3)cc2s1
InChIInChI=1S/C14H13N3S/c1-10-17-13-6-5-11(8-14(13)18-10)16-9-12-4-2-3-7-15-12/h2-8,16H,9H2,1H3
InChIKeyMTZYBZFUTYGCNA-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine

2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine (PubChem CID 43682641) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
PubChem CID43682641
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NCc3ccccn3)cc2s1
InChIInChI=1S/C14H13N3S/c1-10-17-13-6-5-11(8-14(13)18-10)16-9-12-4-2-3-7-15-12/h2-8,16H,9H2,1H3
InChIKeyMTZYBZFUTYGCNA-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

2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 90997586
N-[(2-ethoxyphenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231044
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 43682709
3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682648
N-[(3,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231098
N-[(2,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682594
N-[(3-aminothiophen-2-yl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 66387136
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 114841659
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873291
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
2-methyl-N-octyl-1,3-benzothiazol-6-amine
CID 43682586
N-[(4-bromo-3-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 81437224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine (CID 43682641) is 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine is Cc1nc2ccc(NCc3ccccn3)cc2s1.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine?
The InChIKey is MTZYBZFUTYGCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-17-13-6-5-11(8-14(13)18-10)16-9-12-4-2-3-7-15-12/h2-8,16H,9H2,1H3.
What are the key properties of 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine?
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-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 2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43682641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).