7-(1,3,5-triazin-2-yl)-1,3-benzothiazole

C10H6N4S — CID 90901282

IUPAC7-(1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1cc(-c2ncncn2)c2scnc2c1
InChIInChI=1S/C10H6N4S/c1-2-7(10-12-4-11-5-13-10)9-8(3-1)14-6-15-9/h1-6H
InChIKeyHEKDAQNNPZLYDW-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.15
Rot. Bonds1

About 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole

7-(1,3,5-triazin-2-yl)-1,3-benzothiazole (PubChem CID 90901282) has the molecular formula C10H6N4S and a molecular weight of 214.25 g/mol. Its IUPAC name is 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-(1,3,5-triazin-2-yl)-1,3-benzothiazole
PubChem CID90901282
Molecular FormulaC10H6N4S
Molecular Weight214.25 g/mol
Exact Mass214.03
IUPAC Name7-(1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1cc(-c2ncncn2)c2scnc2c1
InChIInChI=1S/C10H6N4S/c1-2-7(10-12-4-11-5-13-10)9-8(3-1)14-6-15-9/h1-6H
InChIKeyHEKDAQNNPZLYDW-UHFFFAOYSA-N
XLogP2.15
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline
CID 91034302
1,3-benzothiazol-7-ol
CID 23289256
1,3-benzothiazole-7-carbonitrile
CID 69455274
N,N-dichloro-1,3-benzothiazol-7-amine
CID 19971386
7-(chloromethyl)-1,3-benzothiazole
CID 14096730
3-(1,3-benzothiazol-7-yl)-2-diazenylaniline
CID 90993799
7-ethoxy-1,3-benzothiazole
CID 18461248
2-(1,3-benzothiazol-7-yl)acetaldehyde
CID 83874739
2-(1,3-benzothiazol-7-yloxy)ethanamine
CID 84665566
7-(1,3-dioxolan-2-yl)-1,3-benzothiazole
CID 121411091
7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole
CID 169414553
2-anthracen-1-yl-1,3,5-triazine
CID 87717818

Frequently Asked Questions

What is the IUPAC name of 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole?
The IUPAC name of 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole (CID 90901282) is 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole is c1cc(-c2ncncn2)c2scnc2c1.
What is the InChIKey of 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole?
The InChIKey is HEKDAQNNPZLYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4S/c1-2-7(10-12-4-11-5-13-10)9-8(3-1)14-6-15-9/h1-6H.
What are the key properties of 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole?
7-(1,3,5-triazin-2-yl)-1,3-benzothiazole has a molecular weight of 214.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3,5-triazin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 90901282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).