[5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

C13H14N4O3S2 — CID 56968273

IUPAC[5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
SMILESCC(=O)Oc1cc2c(s1)CCN(CC(=O)Nc1nncs1)C2
InChIInChI=1S/C13H14N4O3S2/c1-8(18)20-12-4-9-5-17(3-2-10(9)22-12)6-11(19)15-13-16-14-7-21-13/h4,7H,2-3,5-6H2,1H3,(H,15,16,19)
InChIKeyRPAUMIXHVFHGQQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.52
Rot. Bonds4

About [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate

[5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate (PubChem CID 56968273) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate.

Molecular Properties

Compound Name[5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
PubChem CID56968273
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name[5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
SMILESCC(=O)Oc1cc2c(s1)CCN(CC(=O)Nc1nncs1)C2
InChIInChI=1S/C13H14N4O3S2/c1-8(18)20-12-4-9-5-17(3-2-10(9)22-12)6-11(19)15-13-16-14-7-21-13/h4,7H,2-3,5-6H2,1H3,(H,15,16,19)
InChIKeyRPAUMIXHVFHGQQ-UHFFFAOYSA-N
XLogP1.52
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
[5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CID 72945191
(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl) acetate
CID 118203485
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280
[5-[(2-chloro-6-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate
CID 56949373
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22194063
2-[4-(5-benzyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133452114
2-(2-oxopiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 78864857
[5-[(2,3,4,5,6-pentafluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate
CID 56949381
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455500

Frequently Asked Questions

What is the IUPAC name of [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The IUPAC name of [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate (CID 56968273) is [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate.
What is the SMILES notation for [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The canonical SMILES for [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate is CC(=O)Oc1cc2c(s1)CCN(CC(=O)Nc1nncs1)C2.
What is the InChIKey of [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
The InChIKey is RPAUMIXHVFHGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c1-8(18)20-12-4-9-5-17(3-2-10(9)22-12)6-11(19)15-13-16-14-7-21-13/h4,7H,2-3,5-6H2,1H3,(H,15,16,19).
What are the key properties of [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate?
[5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate has a molecular weight of 338.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate is sourced from PubChem (CID 56968273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).