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

C18H15N3S2 — CID 17383612

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole
SMILESCc1ccccc1-c1nc(CSc2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C18H15N3S2/c1-12-6-2-3-7-14(12)17-19-13(10-22-17)11-23-18-20-15-8-4-5-9-16(15)21-18/h2-10H,11H2,1H3,(H,20,21)
InChIKeyICZYAKWWQKETLN-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.29
Rot. Bonds4

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

4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole (PubChem CID 17383612) has the molecular formula C18H15N3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole
PubChem CID17383612
Molecular FormulaC18H15N3S2
Molecular Weight337.47 g/mol
Exact Mass337.07
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole
SMILESCc1ccccc1-c1nc(CSc2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C18H15N3S2/c1-12-6-2-3-7-14(12)17-19-13(10-22-17)11-23-18-20-15-8-4-5-9-16(15)21-18/h2-10H,11H2,1H3,(H,20,21)
InChIKeyICZYAKWWQKETLN-UHFFFAOYSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 16539520
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
CID 741721
2-(2-methylphenyl)-4-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19729931
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-(2-methylphenyl)-4-[[4-methyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19727375
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 70473266
4-[(5-ethyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(2-methylphenyl)-1,3-thiazole
CID 17283979
4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-bromo-2-methyl-1,3-thiazol-3-ium bromide
CID 18560779
2-(2-methylphenyl)-4-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 17303003

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole (CID 17383612) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole is Cc1ccccc1-c1nc(CSc2nc3ccccc3[nH]2)cs1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole?
The InChIKey is ICZYAKWWQKETLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S2/c1-12-6-2-3-7-14(12)17-19-13(10-22-17)11-23-18-20-15-8-4-5-9-16(15)21-18/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole has a molecular weight of 337.47 g/mol, XLogP of 5.29, 4 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)-2-(2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 17383612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).