[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone

C14H17N3O2S — CID 118740974

IUPAC[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone
SMILESCOCC1CN(C(=O)c2cccs2)Cc2nccn2C1
InChIInChI=1S/C14H17N3O2S/c1-19-10-11-7-16-5-4-15-13(16)9-17(8-11)14(18)12-3-2-6-20-12/h2-6,11H,7-10H2,1H3
InChIKeyBHEZOXAXWWEGAR-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.86
Rot. Bonds3

About [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone

[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone (PubChem CID 118740974) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone
PubChem CID118740974
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone
SMILESCOCC1CN(C(=O)c2cccs2)Cc2nccn2C1
InChIInChI=1S/C14H17N3O2S/c1-19-10-11-7-16-5-4-15-13(16)9-17(8-11)14(18)12-3-2-6-20-12/h2-6,11H,7-10H2,1H3
InChIKeyBHEZOXAXWWEGAR-UHFFFAOYSA-N
XLogP1.86
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-5-methylthiophene-2-carboxamide
CID 13371091
N-[4-(1H-imidazol-1-yl)butyl]-2-thiophenecarboxamide
CID 13371093
N-(3-imidazol-1-ylpropyl)-5-methylthiophene-3-carboxamide
CID 2971216
N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2842773
N-(3-imidazol-1-ylpropyl)-3-methylthiophene-2-carboxamide
CID 35523911
(4-((2-methyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 52992571
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 53591769
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 53591773
2-[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]thiophene-3-carbonitrile
CID 53603042
3-[2-(2-Propan-2-ylimidazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 84599541
2-(Imidazol-1-ylmethyl)-9-(thiophen-2-ylmethyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97382248
[3-[(Dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(3-methylthiophen-2-yl)methanone
CID 97390178

Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone?
The IUPAC name of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone (CID 118740974) is [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone is COCC1CN(C(=O)c2cccs2)Cc2nccn2C1.
What is the InChIKey of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone?
The InChIKey is BHEZOXAXWWEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-19-10-11-7-16-5-4-15-13(16)9-17(8-11)14(18)12-3-2-6-20-12/h2-6,11H,7-10H2,1H3.
What are the key properties of [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone?
[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone has a molecular weight of 291.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 118740974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).