2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole

C10H9N3S2 — CID 119094159

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole
SMILESc1ccc2sc(SC3=NCCN3)nc2c1
InChIInChI=1S/C10H9N3S2/c1-2-4-8-7(3-1)13-10(14-8)15-9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)
InChIKeyZBRFTJVDFHQVHR-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.35
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole (PubChem CID 119094159) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole
PubChem CID119094159
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole
SMILESc1ccc2sc(SC3=NCCN3)nc2c1
InChIInChI=1S/C10H9N3S2/c1-2-4-8-7(3-1)13-10(14-8)15-9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12)
InChIKeyZBRFTJVDFHQVHR-UHFFFAOYSA-N
XLogP2.35
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886924
2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
CID 18538492
2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 22693192
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 83156623
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole
CID 71637241
2-pyrrolidin-3-ylsulfanyl-1,3-benzothiazole
CID 62328809
2-[[4-(1,3-benzothiazol-2-yldisulfanyl)naphthalen-1-yl]disulfanyl]-1,3-benzothiazole
CID 18349403
2-(5-iodopyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 115620498
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfonyl)-1,3-benzothiazole
CID 139221972

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole (CID 119094159) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole is c1ccc2sc(SC3=NCCN3)nc2c1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole?
The InChIKey is ZBRFTJVDFHQVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c1-2-4-8-7(3-1)13-10(14-8)15-9-11-5-6-12-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole has a molecular weight of 235.34 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1,3-benzothiazole is sourced from PubChem (CID 119094159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).