4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran

C15H13N3S2 — CID 118107792

IUPAC4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran
SMILESC1=CCSC=C1.c1ccc2[nH]c(-c3cscn3)nc2c1
InChIInChI=1S/C10H7N3S.C5H6S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;1-2-4-6-5-3-1/h1-6H,(H,12,13);1-4H,5H2
InChIKeyUDYAROTYPVCAMN-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.49
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran

4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran (PubChem CID 118107792) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran
PubChem CID118107792
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran
SMILESC1=CCSC=C1.c1ccc2[nH]c(-c3cscn3)nc2c1
InChIInChI=1S/C10H7N3S.C5H6S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;1-2-4-6-5-3-1/h1-6H,(H,12,13);1-4H,5H2
InChIKeyUDYAROTYPVCAMN-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.49
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-yl)-1,3-thiazole;2H-thiopyran?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran (CID 118107792) is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran is C1=CCSC=C1.c1ccc2[nH]c(-c3cscn3)nc2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran?
The InChIKey is UDYAROTYPVCAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S.C5H6S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9;1-2-4-6-5-3-1/h1-6H,(H,12,13);1-4H,5H2.
What are the key properties of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran?
4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran has a molecular weight of 299.42 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2H-thiopyran is sourced from PubChem (CID 118107792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).