6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one

C10H14N2OS — CID 115100367

IUPAC6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one
SMILESCC1CNCCN(c2cccs2)C1=O
InChIInChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(10(8)13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyZHVXITBWEVVIER-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.32
Rot. Bonds1

About 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one

6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one (PubChem CID 115100367) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one
PubChem CID115100367
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one
SMILESCC1CNCCN(c2cccs2)C1=O
InChIInChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(10(8)13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKeyZHVXITBWEVVIER-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetylamino-N-2-thienylpropanamide
CID 139591621
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
2,2,2-Trifluoro-1-(2,3,4,5-tetrahydrothieno[2,3-e][1,4]diazepin-1-yl)ethanone
CID 176336159
N-(2-(Diethylamino)propyl)-N-2-thienylpropionamide
CID 3031106
2-(N-(2-(Dimethylamino)ethyl)propionamido)thiophene hydrochloride
CID 3031112
2-(N-(3-(Dimethylamino)propyl)propionamido)thiophene hydrochloride
CID 3031119
1-Thiophen-2-yl-2-(trifluoromethyl)-1,4-diazepan-5-one
CID 115101568
2-[acetyl(thiophen-2-yl)amino]-N-ethylpropanamide
CID 19602467
2-amino-N-thiophen-2-ylacetamide
CID 19866507
2-(Thiophen-2-ylamino)propanamide
CID 20132685
3-(Methylamino)-1-thiophen-2-ylazepan-2-one
CID 20589806
4-Methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 20589949

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one?
The IUPAC name of 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one (CID 115100367) is 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one is CC1CNCCN(c2cccs2)C1=O.
What is the InChIKey of 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one?
The InChIKey is ZHVXITBWEVVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-7-11-4-5-12(10(8)13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3.
What are the key properties of 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one?
6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one has a molecular weight of 210.30 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-thiophen-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 115100367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).