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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Related Compounds

4-[4-(diiodomethyl)-1H-benzimidazol-2-yl]-1,3-thiazole
CID 154002822
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 88537474
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea
CID 10429544
4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole
CID 52935144
3-phenyl-N-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]propanamide
CID 10472942
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
1-[(1R)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea;2,2,2-trifluoroacetic acid
CID 171932606

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).