4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one

C14H16N4O2S — CID 102893030

IUPAC4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2sc3cccnc3c2N)CC1=O
InChIInChI=1S/C14H16N4O2S/c1-17-6-3-7-18(8-10(17)19)14(20)13-11(15)12-9(21-13)4-2-5-16-12/h2,4-5H,3,6-8,15H2,1H3
InChIKeyRYTYRINCUKVLPG-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.18
Rot. Bonds1

About 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102893030) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102893030
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2sc3cccnc3c2N)CC1=O
InChIInChI=1S/C14H16N4O2S/c1-17-6-3-7-18(8-10(17)19)14(20)13-11(15)12-9(21-13)4-2-5-16-12/h2,4-5H,3,6-8,15H2,1H3
InChIKeyRYTYRINCUKVLPG-UHFFFAOYSA-N
XLogP1.18
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloropyridine-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102848032
(3-aminothieno[3,2-b]pyridin-2-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104961431
(3-aminothieno[3,2-b]pyridin-2-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112629406
4-(4-aminopyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892425
4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 102891640
(3-aminothieno[3,2-b]pyridin-2-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114597600
4-(2-amino-3-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888142
(3-aminothieno[3,2-b]pyridin-2-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 166335710
4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 107523333
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892680
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102893030) is 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)c2sc3cccnc3c2N)CC1=O.
What is the InChIKey of 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is RYTYRINCUKVLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-17-6-3-7-18(8-10(17)19)14(20)13-11(15)12-9(21-13)4-2-5-16-12/h2,4-5H,3,6-8,15H2,1H3.
What are the key properties of 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 304.38 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminothieno[3,2-b]pyridine-2-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102893030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).