2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C14H16N4OS2 — CID 71861540

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(CNc1nc(C2CC2)ns1)N1CCc2sccc2C1
InChIInChI=1S/C14H16N4OS2/c19-12(18-5-3-11-10(8-18)4-6-20-11)7-15-14-16-13(17-21-14)9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,15,16,17)
InChIKeyYTUGEMRDXGHVNG-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.47
Rot. Bonds4

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 71861540) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID71861540
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESO=C(CNc1nc(C2CC2)ns1)N1CCc2sccc2C1
InChIInChI=1S/C14H16N4OS2/c19-12(18-5-3-11-10(8-18)4-6-20-11)7-15-14-16-13(17-21-14)9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,15,16,17)
InChIKeyYTUGEMRDXGHVNG-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone 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 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 71861540) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is O=C(CNc1nc(C2CC2)ns1)N1CCc2sccc2C1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is YTUGEMRDXGHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c19-12(18-5-3-11-10(8-18)4-6-20-11)7-15-14-16-13(17-21-14)9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,15,16,17).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 320.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 71861540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).