2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine

C13H11N3S — CID 90997586

IUPAC2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(Nc3ccccn3)cc2s1
InChIInChI=1S/C13H11N3S/c1-9-15-11-6-5-10(8-12(11)17-9)16-13-4-2-3-7-14-13/h2-8H,1H3,(H,14,16)
InChIKeyFYBBSRLXMCXKOX-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.74
Rot. Bonds2

About 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine

2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine (PubChem CID 90997586) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
PubChem CID90997586
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(Nc3ccccn3)cc2s1
InChIInChI=1S/C13H11N3S/c1-9-15-11-6-5-10(8-12(11)17-9)16-13-4-2-3-7-14-13/h2-8H,1H3,(H,14,16)
InChIKeyFYBBSRLXMCXKOX-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 170267129
2-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-6-amine
CID 43682641
6-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyridine-3-carbonitrile
CID 47150241
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
2,4-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122317031
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 36574929
6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581598
N-(3-methylphenyl)pyridin-2-amine
CID 12695761
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122317189
2-methyl-1,3-benzothiazole;2-methylpyridine
CID 160647860
N-(6-tert-butylnaphthalen-2-yl)pyridin-2-amine
CID 58514141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine?
The IUPAC name of 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine (CID 90997586) is 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine is Cc1nc2ccc(Nc3ccccn3)cc2s1.
What is the InChIKey of 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine?
The InChIKey is FYBBSRLXMCXKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-9-15-11-6-5-10(8-12(11)17-9)16-13-4-2-3-7-14-13/h2-8H,1H3,(H,14,16).
What are the key properties of 2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine?
2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine has a molecular weight of 241.32 g/mol, XLogP of 3.74, 2 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-yl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 90997586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).