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

C14H13N3OS — CID 18969010

IUPAC3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCN1C(=O)C(N)N=C(c2ccccc2)c2ccsc21
InChIInChI=1S/C14H13N3OS/c1-17-13(18)12(15)16-11(9-5-3-2-4-6-9)10-7-8-19-14(10)17/h2-8,12H,15H2,1H3
InChIKeyCSCUYZYEGQJEHF-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.85
Rot. Bonds1

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

3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one (PubChem CID 18969010) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
PubChem CID18969010
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one
SMILESCN1C(=O)C(N)N=C(c2ccccc2)c2ccsc21
InChIInChI=1S/C14H13N3OS/c1-17-13(18)12(15)16-11(9-5-3-2-4-6-9)10-7-8-19-14(10)17/h2-8,12H,15H2,1H3
InChIKeyCSCUYZYEGQJEHF-UHFFFAOYSA-N
XLogP1.85
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one (CID 18969010) is 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one is CN1C(=O)C(N)N=C(c2ccccc2)c2ccsc21.
What is the InChIKey of 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is CSCUYZYEGQJEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-13(18)12(15)16-11(9-5-3-2-4-6-9)10-7-8-19-14(10)17/h2-8,12H,15H2,1H3.
What are the key properties of 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one?
3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 271.35 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-phenyl-3H-thieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 18969010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).