7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine

C16H18N2OS — CID 142641553

IUPAC7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine
SMILESCCc1cc2c(s1)NCCN=C2c1ccc(OC)cc1
InChIInChI=1S/C16H18N2OS/c1-3-13-10-14-15(17-8-9-18-16(14)20-13)11-4-6-12(19-2)7-5-11/h4-7,10,18H,3,8-9H2,1-2H3
InChIKeyIYKPWCODRDKEDD-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.58
Rot. Bonds3

About 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine

7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine (PubChem CID 142641553) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine
PubChem CID142641553
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine
SMILESCCc1cc2c(s1)NCCN=C2c1ccc(OC)cc1
InChIInChI=1S/C16H18N2OS/c1-3-13-10-14-15(17-8-9-18-16(14)20-13)11-4-6-12(19-2)7-5-11/h4-7,10,18H,3,8-9H2,1-2H3
InChIKeyIYKPWCODRDKEDD-UHFFFAOYSA-N
XLogP3.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine?
The IUPAC name of 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine (CID 142641553) is 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine.
What is the SMILES notation for 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine?
The canonical SMILES for 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine is CCc1cc2c(s1)NCCN=C2c1ccc(OC)cc1.
What is the InChIKey of 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine?
The InChIKey is IYKPWCODRDKEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-13-10-14-15(17-8-9-18-16(14)20-13)11-4-6-12(19-2)7-5-11/h4-7,10,18H,3,8-9H2,1-2H3.
What are the key properties of 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine?
7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine has a molecular weight of 286.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-(4-methoxyphenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepine is sourced from PubChem (CID 142641553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).