2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine

C13H11N3S — CID 2237730

IUPAC2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(Nc3ccncc3)ccc2s1
InChIInChI=1S/C13H11N3S/c1-9-15-12-8-11(2-3-13(12)17-9)16-10-4-6-14-7-5-10/h2-8H,1H3,(H,14,16)
InChIKeyYDDBCIFJHKECIH-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.74
Rot. Bonds2

About 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine

2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine (PubChem CID 2237730) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine
PubChem CID2237730
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine
SMILESCc1nc2cc(Nc3ccncc3)ccc2s1
InChIInChI=1S/C13H11N3S/c1-9-15-12-8-11(2-3-13(12)17-9)16-10-4-6-14-7-5-10/h2-8H,1H3,(H,14,16)
InChIKeyYDDBCIFJHKECIH-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-(2-Pyridinyl)benzothiazole
CID 12856
Benzothiazol-5-amine
CID 70749
5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
2-(Piperidin-3-yl)-1,3-benzothiazole
CID 2998624
N-(2-Methyl-1,3-benzothiazol-5-yl)acetamide
CID 596204
2-(Piperidin-4-yl)-1,3-benzothiazole
CID 1477439
5-Benzothiazolamine, 2-methyl-
CID 36229
2-(3-Pyridyl)benzothiazole
CID 235922
2-(Pyridin-2-ylsulfanylmethyl)-1,3-benzothiazole
CID 2417513
3-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylpropanamide
CID 4879707
2-{[2-(2-Pyridinylthio)ethyl]sulfonyl}-1,3-benzothiazole
CID 972882
(2E)-2-benzothiazol-2-yl-3-(2-pyridyl)prop-2-enenitrile
CID 5730061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine?
The IUPAC name of 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine (CID 2237730) is 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine is Cc1nc2cc(Nc3ccncc3)ccc2s1.
What is the InChIKey of 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine?
The InChIKey is YDDBCIFJHKECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-9-15-12-8-11(2-3-13(12)17-9)16-10-4-6-14-7-5-10/h2-8H,1H3,(H,14,16).
What are the key properties of 2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-amine?
2-methyl-N-pyridin-4-yl-1,3-benzothiazol-5-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-4-yl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 2237730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).