1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

C10H12N2S — CID 83435632

IUPAC1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1csc2nc3c(n12)CCCC3
InChIInChI=1S/C10H12N2S/c1-7-6-13-10-11-8-4-2-3-5-9(8)12(7)10/h6H,2-5H2,1H3
InChIKeyYPPPLIVWLGYPKE-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.58
Rot. Bonds

About 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 83435632) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID83435632
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1csc2nc3c(n12)CCCC3
InChIInChI=1S/C10H12N2S/c1-7-6-13-10-11-8-4-2-3-5-9(8)12(7)10/h6H,2-5H2,1H3
InChIKeyYPPPLIVWLGYPKE-UHFFFAOYSA-N
XLogP2.58
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 83435632) is 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is Cc1csc2nc3c(n12)CCCC3.
What is the InChIKey of 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is YPPPLIVWLGYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-6-13-10-11-8-4-2-3-5-9(8)12(7)10/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 192.29 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 83435632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).