[1,2]thiazolo[2,3-a]benzimidazole

C9H6N2S — CID 45078113

IUPAC[1,2]thiazolo[2,3-a]benzimidazole
SMILESc1ccc2c(c1)nc1ccsn12
InChIInChI=1S/C9H6N2S/c1-2-4-8-7(3-1)10-9-5-6-12-11(8)9/h1-6H
InChIKeyWQEPWALOCSQVAQ-UHFFFAOYSA-N
MW174.23 g/mol
LogP2.55
Rot. Bonds

About [1,2]thiazolo[2,3-a]benzimidazole

[1,2]thiazolo[2,3-a]benzimidazole (PubChem CID 45078113) has the molecular formula C9H6N2S and a molecular weight of 174.23 g/mol. Its IUPAC name is [1,2]thiazolo[2,3-a]benzimidazole.

Molecular Properties

Compound Name[1,2]thiazolo[2,3-a]benzimidazole
PubChem CID45078113
Molecular FormulaC9H6N2S
Molecular Weight174.23 g/mol
Exact Mass174.03
IUPAC Name[1,2]thiazolo[2,3-a]benzimidazole
SMILESc1ccc2c(c1)nc1ccsn12
InChIInChI=1S/C9H6N2S/c1-2-4-8-7(3-1)10-9-5-6-12-11(8)9/h1-6H
InChIKeyWQEPWALOCSQVAQ-UHFFFAOYSA-N
XLogP2.55
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride
CID 2866315
1-(prop-2-en-1-yl)-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962267
2-(1-Propylbenzimidazol-2-yl)thiophene
CID 660451
1H,3H-thiazolo(3,4-a)benzimidazole
CID 65398
1-Ethyl-2-thiophen-2-yl-1H-benzoimidazole
CID 931431
1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole
CID 382382
2-[(1-Ethylbenzimidazol-2-yl)methyl]thiophene
CID 19242884
1-Phenyl-2-(2-thienyl)benzimidazole
CID 19353962
1,3-dimethyl-2-(thiophen-2-yl)-1H-3,1-benzimidazol-3-ium
CID 783548
1-Phenylsulfanyl-2-(trifluoromethyl)benzimidazole
CID 68147733
1-Thiophen-3-ylbenzimidazol-2-amine
CID 66349760

Frequently Asked Questions

What is the IUPAC name of [1,2]thiazolo[2,3-a]benzimidazole?
The IUPAC name of [1,2]thiazolo[2,3-a]benzimidazole (CID 45078113) is [1,2]thiazolo[2,3-a]benzimidazole.
What is the SMILES notation for [1,2]thiazolo[2,3-a]benzimidazole?
The canonical SMILES for [1,2]thiazolo[2,3-a]benzimidazole is c1ccc2c(c1)nc1ccsn12.
What is the InChIKey of [1,2]thiazolo[2,3-a]benzimidazole?
The InChIKey is WQEPWALOCSQVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2S/c1-2-4-8-7(3-1)10-9-5-6-12-11(8)9/h1-6H.
What are the key properties of [1,2]thiazolo[2,3-a]benzimidazole?
[1,2]thiazolo[2,3-a]benzimidazole has a molecular weight of 174.23 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]thiazolo[2,3-a]benzimidazole is sourced from PubChem (CID 45078113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).