5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione

C14H15N3S2 — CID 106034332

IUPAC5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
SMILESCc1ccc2[nH]c(=S)n(CCc3csc(C)n3)c2c1
InChIInChI=1S/C14H15N3S2/c1-9-3-4-12-13(7-9)17(14(18)16-12)6-5-11-8-19-10(2)15-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeySGYFNDYCQCUKEI-UHFFFAOYSA-N
MW289.43 g/mol
LogP4.01
Rot. Bonds3

About 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione

5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione (PubChem CID 106034332) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
PubChem CID106034332
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
SMILESCc1ccc2[nH]c(=S)n(CCc3csc(C)n3)c2c1
InChIInChI=1S/C14H15N3S2/c1-9-3-4-12-13(7-9)17(14(18)16-12)6-5-11-8-19-10(2)15-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)
InChIKeySGYFNDYCQCUKEI-UHFFFAOYSA-N
XLogP4.01
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034382
6-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034326
7-chloro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034441
5-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419382
4-chloro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034436
5-methyl-3-(5,5,5-trifluoropentyl)-1H-benzimidazole-2-thione
CID 115520864
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-1H-benzimidazole-2-thione
CID 114537977
1-ethyl-3-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106034360
5-methyl-3-(1,2-oxazol-5-ylmethyl)-1H-benzimidazole-2-thione
CID 114186474
5-methyl-3-(2-prop-2-ynylsulfanylethyl)-1H-benzimidazole-2-thione
CID 106431411
4-tert-butyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
CID 114139507
5,6-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 106036394

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione?
The IUPAC name of 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione (CID 106034332) is 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione is Cc1ccc2[nH]c(=S)n(CCc3csc(C)n3)c2c1.
What is the InChIKey of 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione?
The InChIKey is SGYFNDYCQCUKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-9-3-4-12-13(7-9)17(14(18)16-12)6-5-11-8-19-10(2)15-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione?
5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione has a molecular weight of 289.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 106034332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).