2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide

C17H17N3OS2 — CID 14421558

IUPAC2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide
SMILESCCSc1ccnc(C2Cn3c(nc4ccccc43)S2=O)c1C
InChIInChI=1S/C17H17N3OS2/c1-3-22-14-8-9-18-16(11(14)2)15-10-20-13-7-5-4-6-12(13)19-17(20)23(15)21/h4-9,15H,3,10H2,1-2H3
InChIKeyIHIGZSGCKJFQNB-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.71
Rot. Bonds3

About 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide

2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide (PubChem CID 14421558) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide.

Molecular Properties

Compound Name2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide
PubChem CID14421558
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide
SMILESCCSc1ccnc(C2Cn3c(nc4ccccc43)S2=O)c1C
InChIInChI=1S/C17H17N3OS2/c1-3-22-14-8-9-18-16(11(14)2)15-10-20-13-7-5-4-6-12(13)19-17(20)23(15)21/h4-9,15H,3,10H2,1-2H3
InChIKeyIHIGZSGCKJFQNB-UHFFFAOYSA-N
XLogP3.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide?
The IUPAC name of 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide (CID 14421558) is 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide.
What is the SMILES notation for 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide?
The canonical SMILES for 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide is CCSc1ccnc(C2Cn3c(nc4ccccc43)S2=O)c1C.
What is the InChIKey of 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide?
The InChIKey is IHIGZSGCKJFQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-3-22-14-8-9-18-16(11(14)2)15-10-20-13-7-5-4-6-12(13)19-17(20)23(15)21/h4-9,15H,3,10H2,1-2H3.
What are the key properties of 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide?
2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide has a molecular weight of 343.48 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanyl-3-methyl-2-pyridinyl)-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole 3-oxide is sourced from PubChem (CID 14421558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).