6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one

C17H16N2OS — CID 24846842

IUPAC6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCN1C(=O)CN=C(c2ccccc2)c2c(C3CC3)csc21
InChIInChI=1S/C17H16N2OS/c1-19-14(20)9-18-16(12-5-3-2-4-6-12)15-13(11-7-8-11)10-21-17(15)19/h2-6,10-11H,7-9H2,1H3
InChIKeyYVSAGKNXSIIENO-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.44
Rot. Bonds2

About 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one

6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one (PubChem CID 24846842) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
PubChem CID24846842
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCN1C(=O)CN=C(c2ccccc2)c2c(C3CC3)csc21
InChIInChI=1S/C17H16N2OS/c1-19-14(20)9-18-16(12-5-3-2-4-6-12)15-13(11-7-8-11)10-21-17(15)19/h2-6,10-11H,7-9H2,1H3
InChIKeyYVSAGKNXSIIENO-UHFFFAOYSA-N
XLogP3.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one (CID 24846842) is 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one is CN1C(=O)CN=C(c2ccccc2)c2c(C3CC3)csc21.
What is the InChIKey of 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is YVSAGKNXSIIENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19-14(20)9-18-16(12-5-3-2-4-6-12)15-13(11-7-8-11)10-21-17(15)19/h2-6,10-11H,7-9H2,1H3.
What are the key properties of 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 296.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 24846842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).