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Etizolam

C17H15ClN4S — CID 3307

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
SMILESCCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl
InChIInChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
InChIKeyVMZUTJCNQWMAGF-UHFFFAOYSA-N
MW342.86 g/mol
LogP4.20
Rot. Bonds2

About Etizolam

Etizolam (PubChem CID 3307) has the molecular formula C17H15ClN4S and a molecular weight of 342.86 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.

Molecular Properties

Compound NameEtizolam
PubChem CID3307
Molecular FormulaC17H15ClN4S
Molecular Weight342.86 g/mol
Exact Mass342.07
IUPAC Name7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
SMILESCCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl
InChIInChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
InChIKeyVMZUTJCNQWMAGF-UHFFFAOYSA-N
XLogP4.20
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.86
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Brotizolam
CID 2451
(4S)-6-(2-Chlorophenyl)-9-(cyclopropylcarbonyl)-7,8,9,10-tetrahydro-1,4-dimethyl-4H-pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine
CID 3035214
2-Ethyl-9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine
CID 827322
Cpi-203
CID 71291068
MS417
CID 59190723
1-[3-[7-(2-Chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]prop-2-ynyl]-3-methylbenzimidazol-2-one
CID 14851876
Flubrotizolam
CID 3044878
Alpha-Hydroxyetizolam
CID 15135972

Frequently Asked Questions

What is the IUPAC name of Etizolam?
The IUPAC name of Etizolam (CID 3307) is 7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.
What is the SMILES notation for Etizolam?
The canonical SMILES for Etizolam is CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl.
What is the InChIKey of Etizolam?
The InChIKey is VMZUTJCNQWMAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3.
What are the key properties of Etizolam?
Etizolam has a molecular weight of 342.86 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Etizolam is sourced from PubChem (CID 3307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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