4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine

C8H12N2S — CID 151827450

IUPAC4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine
SMILESCN1CCNc2ccsc2C1
InChIInChI=1S/C8H12N2S/c1-10-4-3-9-7-2-5-11-8(7)6-10/h2,5,9H,3-4,6H2,1H3
InChIKeySDXVLCQDXQZDPI-UHFFFAOYSA-N
MW168.27 g/mol
LogP1.61
Rot. Bonds

About 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine

4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine (PubChem CID 151827450) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine.

Molecular Properties

Compound Name4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine
PubChem CID151827450
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine
SMILESCN1CCNc2ccsc2C1
InChIInChI=1S/C8H12N2S/c1-10-4-3-9-7-2-5-11-8(7)6-10/h2,5,9H,3-4,6H2,1H3
InChIKeySDXVLCQDXQZDPI-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine?
The IUPAC name of 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine (CID 151827450) is 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine.
What is the SMILES notation for 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine?
The canonical SMILES for 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine is CN1CCNc2ccsc2C1.
What is the InChIKey of 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine?
The InChIKey is SDXVLCQDXQZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-10-4-3-9-7-2-5-11-8(7)6-10/h2,5,9H,3-4,6H2,1H3.
What are the key properties of 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine?
4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine has a molecular weight of 168.27 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,5-tetrahydrothieno[3,2-e][1,4]diazepine is sourced from PubChem (CID 151827450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).