(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

C14H18N4OS — CID 114289131

IUPAC(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2sc3cnccc3c2N)CC1
InChIInChI=1S/C14H18N4OS/c1-17-5-2-6-18(8-7-17)14(19)13-12(15)10-3-4-16-9-11(10)20-13/h3-4,9H,2,5-8,15H2,1H3
InChIKeyNNZYOINKANCIDA-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.66
Rot. Bonds1

About (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 114289131) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID114289131
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2sc3cnccc3c2N)CC1
InChIInChI=1S/C14H18N4OS/c1-17-5-2-6-18(8-7-17)14(19)13-12(15)10-3-4-16-9-11(10)20-13/h3-4,9H,2,5-8,15H2,1H3
InChIKeyNNZYOINKANCIDA-UHFFFAOYSA-N
XLogP1.66
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 114289131) is (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2sc3cnccc3c2N)CC1.
What is the InChIKey of (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is NNZYOINKANCIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-17-5-2-6-18(8-7-17)14(19)13-12(15)10-3-4-16-9-11(10)20-13/h3-4,9H,2,5-8,15H2,1H3.
What are the key properties of (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 114289131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).