3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide

C10H10N4OS2 — CID 82133864

IUPAC3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
SMILESO=C(CCc1ccncc1)Nc1n[nH]c(=S)s1
InChIInChI=1S/C10H10N4OS2/c15-8(12-9-13-14-10(16)17-9)2-1-7-3-5-11-6-4-7/h3-6H,1-2H2,(H,14,16)(H,12,13,15)
InChIKeyQAPBOCASXSXECP-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.17
Rot. Bonds4

About 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide

3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide (PubChem CID 82133864) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
PubChem CID82133864
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
SMILESO=C(CCc1ccncc1)Nc1n[nH]c(=S)s1
InChIInChI=1S/C10H10N4OS2/c15-8(12-9-13-14-10(16)17-9)2-1-7-3-5-11-6-4-7/h3-6H,1-2H2,(H,14,16)(H,12,13,15)
InChIKeyQAPBOCASXSXECP-UHFFFAOYSA-N
XLogP2.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
CID 82133863
3-pyridin-4-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 60507342
2-oxo-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]ethanesulfonic acid
CID 20524197
N-(4-methyl-1H-pyrazol-5-yl)-3-pyridin-4-ylpropanamide
CID 112691455
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
N-[5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 46972103
1-phenyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
CID 10658473
2-(3-pyridin-4-ylpropanoylamino)thiophene-3-carboxylic acid
CID 113269888
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
CID 81455570
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 110468478
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 60509519

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide (CID 82133864) is 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide is O=C(CCc1ccncc1)Nc1n[nH]c(=S)s1.
What is the InChIKey of 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide?
The InChIKey is QAPBOCASXSXECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c15-8(12-9-13-14-10(16)17-9)2-1-7-3-5-11-6-4-7/h3-6H,1-2H2,(H,14,16)(H,12,13,15).
What are the key properties of 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide?
3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide has a molecular weight of 266.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 82133864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).