7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

C12H10N2OS2 — CID 135449488

IUPAC7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCc1cc2c(s1)NC(=O)CN=C2c1cccs1
InChIInChI=1S/C12H10N2OS2/c1-7-5-8-11(9-3-2-4-16-9)13-6-10(15)14-12(8)17-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyIAPSPNAQANIXMR-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.91
Rot. Bonds1

About 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (PubChem CID 135449488) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
PubChem CID135449488
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCc1cc2c(s1)NC(=O)CN=C2c1cccs1
InChIInChI=1S/C12H10N2OS2/c1-7-5-8-11(9-3-2-4-16-9)13-6-10(15)14-12(8)17-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyIAPSPNAQANIXMR-UHFFFAOYSA-N
XLogP2.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (CID 135449488) is 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is Cc1cc2c(s1)NC(=O)CN=C2c1cccs1.
What is the InChIKey of 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is IAPSPNAQANIXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-7-5-8-11(9-3-2-4-16-9)13-6-10(15)14-12(8)17-7/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 262.36 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 135449488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).