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

C12H14N4OS2 — CID 154845721

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
SMILESCC1c2sccc2CCN1C(=O)Cc1nnc(N)s1
InChIInChI=1S/C12H14N4OS2/c1-7-11-8(3-5-18-11)2-4-16(7)10(17)6-9-14-15-12(13)19-9/h3,5,7H,2,4,6H2,1H3,(H2,13,15)
InChIKeyKNOSODPOZWMNDQ-UHFFFAOYSA-N
MW294.41 g/mol
LogP1.87
Rot. Bonds2

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

2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone (PubChem CID 154845721) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
PubChem CID154845721
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone
SMILESCC1c2sccc2CCN1C(=O)Cc1nnc(N)s1
InChIInChI=1S/C12H14N4OS2/c1-7-11-8(3-5-18-11)2-4-16(7)10(17)6-9-14-15-12(13)19-9/h3,5,7H,2,4,6H2,1H3,(H2,13,15)
InChIKeyKNOSODPOZWMNDQ-UHFFFAOYSA-N
XLogP1.87
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone (CID 154845721) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone is CC1c2sccc2CCN1C(=O)Cc1nnc(N)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
The InChIKey is KNOSODPOZWMNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-7-11-8(3-5-18-11)2-4-16(7)10(17)6-9-14-15-12(13)19-9/h3,5,7H,2,4,6H2,1H3,(H2,13,15).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone?
2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone has a molecular weight of 294.41 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 154845721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).