4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole

C10H9N3S — CID 141207443

IUPAC4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole
SMILESC1=NSCC1n1cnc2ccccc21
InChIInChI=1S/C10H9N3S/c1-2-4-10-9(3-1)11-7-13(10)8-5-12-14-6-8/h1-5,7-8H,6H2
InChIKeyHOGVHXJYEQDGBF-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.31
Rot. Bonds1

About 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole

4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole (PubChem CID 141207443) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole
PubChem CID141207443
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole
SMILESC1=NSCC1n1cnc2ccccc21
InChIInChI=1S/C10H9N3S/c1-2-4-10-9(3-1)11-7-13(10)8-5-12-14-6-8/h1-5,7-8H,6H2
InChIKeyHOGVHXJYEQDGBF-UHFFFAOYSA-N
XLogP2.31
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
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1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
CID 54576638
6-(benzimidazol-1-yl)cyclohept-2-en-1-one
CID 101434263
4-(benzimidazol-1-yl)-1,1-dioxothiolan-3-ol
CID 60665758
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
1-(2H-pyran-2-yl)benzimidazole
CID 67294190
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
1-phenylsulfanylbenzimidazole
CID 13096820
N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine
CID 121317709
3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 177184374

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole?
The IUPAC name of 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole (CID 141207443) is 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole.
What is the SMILES notation for 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole?
The canonical SMILES for 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole is C1=NSCC1n1cnc2ccccc21.
What is the InChIKey of 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole?
The InChIKey is HOGVHXJYEQDGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-2-4-10-9(3-1)11-7-13(10)8-5-12-14-6-8/h1-5,7-8H,6H2.
What are the key properties of 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole?
4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole has a molecular weight of 203.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-4,5-dihydro-1,2-thiazole is sourced from PubChem (CID 141207443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).