4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole

C11H9N3S2 — CID 700470

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole
SMILESc1ccc2[nH]c(SCc3cscn3)nc2c1
InChIInChI=1S/C11H9N3S2/c1-2-4-10-9(3-1)13-11(14-10)16-6-8-5-15-7-12-8/h1-5,7H,6H2,(H,13,14)
InChIKeyGQTBJJZJMACYFC-UHFFFAOYSA-N
MW247.35 g/mol
LogP3.31
Rot. Bonds3

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole

4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole (PubChem CID 700470) has the molecular formula C11H9N3S2 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole
PubChem CID700470
Molecular FormulaC11H9N3S2
Molecular Weight247.35 g/mol
Exact Mass247.02
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole
SMILESc1ccc2[nH]c(SCc3cscn3)nc2c1
InChIInChI=1S/C11H9N3S2/c1-2-4-10-9(3-1)13-11(14-10)16-6-8-5-15-7-12-8/h1-5,7H,6H2,(H,13,14)
InChIKeyGQTBJJZJMACYFC-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole (CID 700470) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole is c1ccc2[nH]c(SCc3cscn3)nc2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole?
The InChIKey is GQTBJJZJMACYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S2/c1-2-4-10-9(3-1)13-11(14-10)16-6-8-5-15-7-12-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole has a molecular weight of 247.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 700470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).