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Clotiazepam

C16H15ClN2OS — CID 2811

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

IUPAC5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
InChIKeyCHBRHODLKOZEPZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.78
Rot. Bonds2

About Clotiazepam

Clotiazepam (PubChem CID 2811) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound NameClotiazepam
PubChem CID2811
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl
InChIInChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3
InChIKeyCHBRHODLKOZEPZ-UHFFFAOYSA-N
XLogP3.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-1-methyl-5-thiophen-2-yl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 10401998
N-Desmethyl Clotiazepam
CID 135624512
7-Chloro-1-methyl-5-thiophen-3-yl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 10469503
2H-Thieno(2,3-e)(1,4)-diazepin-2-one, 1,3-dihydro-7-ethyl-5-phenyl-
CID 135542321
2H-Thieno(2,3-e)(1,4)diazepin-2-one, 1,3-dihydro-7-ethyl-5-(o-fluorophenyl)-1-methyl-, hydrochloride
CID 3039351
2H-Thieno(2,3-e)(1,4)diazepin-2-one, 1,3-dihydro-5-(o-chlorophenyl)-7-ethyl-
CID 135848173
5-(2-chlorophenyl)-7-(1-hydroxyethyl)-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 154699886
6,7-dimethyl-5-phenyl-1-prop-2-enyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 862723
7-ethyl-5-(2-methylphenyl)-1-prop-2-enyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 862732
7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-thieno(2,3-e)-1,4-diazepin-2-one
CID 135430123
5-(2-Chlorophenyl)-1,3-dihydro-2H-thieno(2,3-e)(1,4)diazepin-2-one
CID 135618566

Frequently Asked Questions

What is the IUPAC name of Clotiazepam?
The IUPAC name of Clotiazepam (CID 2811) is 5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for Clotiazepam?
The canonical SMILES for Clotiazepam is CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl.
What is the InChIKey of Clotiazepam?
The InChIKey is CHBRHODLKOZEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3.
What are the key properties of Clotiazepam?
Clotiazepam has a molecular weight of 318.83 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Clotiazepam is sourced from PubChem (CID 2811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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