1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one

C9H6N2OS — CID 156583377

IUPAC1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one
SMILESO=C1Cn2c(nc3ccccc32)S1
InChIInChI=1S/C9H6N2OS/c12-8-5-11-7-4-2-1-3-6(7)10-9(11)13-8/h1-4H,5H2
InChIKeyTVDLSWOAUXBOCW-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.67
Rot. Bonds

About 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one

1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one (PubChem CID 156583377) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one.

Molecular Properties

Compound Name1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one
PubChem CID156583377
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one
SMILESO=C1Cn2c(nc3ccccc32)S1
InChIInChI=1S/C9H6N2OS/c12-8-5-11-7-4-2-1-3-6(7)10-9(11)13-8/h1-4H,5H2
InChIKeyTVDLSWOAUXBOCW-UHFFFAOYSA-N
XLogP1.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole
CID 6534293
[(3S)-3,4-dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-yl] propanoate
CID 766589
3,4-dihydro-2H-pyrido[1,2-a]benzimidazol-1-one
CID 14171670
1-(4-methoxyphenyl)-2-phenyl-1,4-dihydropyrazino[1,2-a]benzimidazol-3-one
CID 132605098
4-oxo-N-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 23994153
3-bromo-4,4-dimethyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole
CID 3581291
7-deuterio-7,12-dihydrobenzimidazolo[2,1-c][2,4]benzothiazepine 6,6-dioxide
CID 10589198
3,10,17,24-tetrazapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(24),2,4,6,8,18,20,22-octaene-13,14-diol
CID 122388801
(1S)-1-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole
CID 15939310
(2R)-2-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 93477443
(2-bromo-1H-pyrrolo[1,2-a]benzimidazol-3-yl)-phenylmethanone
CID 82038438
2-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)acetamide
CID 146065629

Frequently Asked Questions

What is the IUPAC name of 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one?
The IUPAC name of 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one (CID 156583377) is 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one.
What is the SMILES notation for 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one?
The canonical SMILES for 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one is O=C1Cn2c(nc3ccccc32)S1.
What is the InChIKey of 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one?
The InChIKey is TVDLSWOAUXBOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c12-8-5-11-7-4-2-1-3-6(7)10-9(11)13-8/h1-4H,5H2.
What are the key properties of 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one?
1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one has a molecular weight of 190.23 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one is sourced from PubChem (CID 156583377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).