4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole

C15H17N3OS2 — CID 38866722

IUPAC4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2nc(SCc3csc(C(C)C)n3)[nH]c2c1
InChIInChI=1S/C15H17N3OS2/c1-9(2)14-16-10(7-20-14)8-21-15-17-12-5-4-11(19-3)6-13(12)18-15/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyOBSOXLVYWNPBJC-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.44
Rot. Bonds5

About 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole

4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 38866722) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole
PubChem CID38866722
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2nc(SCc3csc(C(C)C)n3)[nH]c2c1
InChIInChI=1S/C15H17N3OS2/c1-9(2)14-16-10(7-20-14)8-21-15-17-12-5-4-11(19-3)6-13(12)18-15/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyOBSOXLVYWNPBJC-UHFFFAOYSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 104514315
7-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7225640
6-methoxy-2-[2-(3-methylbutoxy)ethylsulfanyl]-1H-benzimidazole
CID 52695113
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol
CID 3439655
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63639169
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole (CID 38866722) is 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole is COc1ccc2nc(SCc3csc(C(C)C)n3)[nH]c2c1.
What is the InChIKey of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is OBSOXLVYWNPBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-9(2)14-16-10(7-20-14)8-21-15-17-12-5-4-11(19-3)6-13(12)18-15/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole?
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 319.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 38866722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).