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

C12H9N3S — CID 72544842

IUPAC6-pyridin-3-yl-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cccnc3)cc2s1
InChIInChI=1S/C12H9N3S/c13-12-15-10-4-3-8(6-11(10)16-12)9-2-1-5-14-7-9/h1-7H,(H2,13,15)
InChIKeyBRDAGPLDPWQHJA-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds1

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

6-pyridin-3-yl-1,3-benzothiazol-2-amine (PubChem CID 72544842) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-pyridin-3-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-pyridin-3-yl-1,3-benzothiazol-2-amine
PubChem CID72544842
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name6-pyridin-3-yl-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cccnc3)cc2s1
InChIInChI=1S/C12H9N3S/c13-12-15-10-4-3-8(6-11(10)16-12)9-2-1-5-14-7-9/h1-7H,(H2,13,15)
InChIKeyBRDAGPLDPWQHJA-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-methylbenzothiazole
CID 17335
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
6-Isopropyl-benzothiazol-2-ylamine
CID 600983
N-[(E)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 9566818
2-Amino-6-(trifluoromethyl)benzothiazole
CID 2735955
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 9796486
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-pyridin-3-yl-1,3-benzothiazol-2-amine (CID 72544842) is 6-pyridin-3-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-pyridin-3-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-pyridin-3-yl-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3cccnc3)cc2s1.
What is the InChIKey of 6-pyridin-3-yl-1,3-benzothiazol-2-amine?
The InChIKey is BRDAGPLDPWQHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-12-15-10-4-3-8(6-11(10)16-12)9-2-1-5-14-7-9/h1-7H,(H2,13,15).
What are the key properties of 6-pyridin-3-yl-1,3-benzothiazol-2-amine?
6-pyridin-3-yl-1,3-benzothiazol-2-amine has a molecular weight of 227.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 72544842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).