5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol

C16H17ClN2OS — CID 142641555

IUPAC5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol
SMILESCCc1cc2c(s1)N(C)CC(O)N=C2c1ccccc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-14(20)9-19(2)16(12)21-10/h4-8,14,20H,3,9H2,1-2H3
InChIKeyPHJFOHIKUAXCHI-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.57
Rot. Bonds2

About 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol

5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol (PubChem CID 142641555) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol
PubChem CID142641555
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol
SMILESCCc1cc2c(s1)N(C)CC(O)N=C2c1ccccc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-14(20)9-19(2)16(12)21-10/h4-8,14,20H,3,9H2,1-2H3
InChIKeyPHJFOHIKUAXCHI-UHFFFAOYSA-N
XLogP3.57
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol?
The IUPAC name of 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol (CID 142641555) is 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol.
What is the SMILES notation for 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol?
The canonical SMILES for 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol is CCc1cc2c(s1)N(C)CC(O)N=C2c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol?
The InChIKey is PHJFOHIKUAXCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-14(20)9-19(2)16(12)21-10/h4-8,14,20H,3,9H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol?
5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol has a molecular weight of 320.85 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol is sourced from PubChem (CID 142641555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).