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

C11H12N4OS2 — CID 47034364

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCc2sccc2C1)Nc1nncs1
InChIInChI=1S/C11H12N4OS2/c16-10(13-11-14-12-7-18-11)6-15-3-1-9-8(5-15)2-4-17-9/h2,4,7H,1,3,5-6H2,(H,13,14,16)
InChIKeyBOAQRPQKDFFPEM-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.60
Rot. Bonds3

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47034364) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47034364
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCc2sccc2C1)Nc1nncs1
InChIInChI=1S/C11H12N4OS2/c16-10(13-11-14-12-7-18-11)6-15-3-1-9-8(5-15)2-4-17-9/h2,4,7H,1,3,5-6H2,(H,13,14,16)
InChIKeyBOAQRPQKDFFPEM-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51476386
N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137887
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 18138052
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 41367420
N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 43375514
2-[4-[6-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]-3-methyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 171491849
N-(2-chloro-4,6-dimethylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137943

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 47034364) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCc2sccc2C1)Nc1nncs1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BOAQRPQKDFFPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c16-10(13-11-14-12-7-18-11)6-15-3-1-9-8(5-15)2-4-17-9/h2,4,7H,1,3,5-6H2,(H,13,14,16).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 280.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47034364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).