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

C9H9N3OS2 — CID 29369897

IUPACN-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1nncs1
InChIInChI=1S/C9H9N3OS2/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-2,5-6H,3-4H2,(H,11,12,13)
InChIKeyLHHBHCLCUPVHOG-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.17
Rot. Bonds4

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

N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 29369897) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID29369897
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1nncs1
InChIInChI=1S/C9H9N3OS2/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-2,5-6H,3-4H2,(H,11,12,13)
InChIKeyLHHBHCLCUPVHOG-UHFFFAOYSA-N
XLogP2.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-(1,3,4-thiadiazol-2-yl)-5-thiophen-2-ylpentanamide
CID 30768610
N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 8571563
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 29370149
3-(3-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 1407434
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide (CID 29369897) is N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1nncs1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is LHHBHCLCUPVHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c13-8(11-9-12-10-6-15-9)4-3-7-2-1-5-14-7/h1-2,5-6H,3-4H2,(H,11,12,13).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide?
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 29369897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).