N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide

C9H9N3OS2 — CID 977537

IUPACN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C9H9N3OS2/c1-2-7(13)10-9-12-11-8(15-9)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,10,12,13)
InChIKeyDACDPYKAARAPCU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.62
Rot. Bonds3

About N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 977537) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID977537
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC NameN-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C9H9N3OS2/c1-2-7(13)10-9-12-11-8(15-9)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,10,12,13)
InChIKeyDACDPYKAARAPCU-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1451531
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 809020
N-[5-(Ethylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 871907
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-N'-thiophen-2-ylmethyl-succinamide
CID 1627306
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 1633446
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2207086
3,3-Dimethyl-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-yl)-butyramide
CID 648154
2-methoxy-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 649189
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 695198

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 977537) is N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide is CCC(=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is DACDPYKAARAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-2-7(13)10-9-12-11-8(15-9)6-4-3-5-14-6/h3-5H,2H2,1H3,(H,10,12,13).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 977537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).