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

C10H10N4OS2 — CID 82133863

IUPAC3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
SMILESO=C(CCc1cccnc1)Nc1n[nH]c(=S)s1
InChIInChI=1S/C10H10N4OS2/c15-8(12-9-13-14-10(16)17-9)4-3-7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,14,16)(H,12,13,15)
InChIKeyQDUVBFCIHUWGNA-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.17
Rot. Bonds4

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

3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide (PubChem CID 82133863) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
PubChem CID82133863
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
SMILESO=C(CCc1cccnc1)Nc1n[nH]c(=S)s1
InChIInChI=1S/C10H10N4OS2/c15-8(12-9-13-14-10(16)17-9)4-3-7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,14,16)(H,12,13,15)
InChIKeyQDUVBFCIHUWGNA-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-4-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
CID 82133864
N-(5-ethyl-1H-pyrazol-3-yl)-3-pyridin-3-ylpropanamide
CID 47423313
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyridin-3-ylpropanamide
CID 33040096
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 57414113
3-pyridin-3-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 24611789
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 17456732
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide
CID 164623316
N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 60578895

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide (CID 82133863) is 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide is O=C(CCc1cccnc1)Nc1n[nH]c(=S)s1.
What is the InChIKey of 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide?
The InChIKey is QDUVBFCIHUWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c15-8(12-9-13-14-10(16)17-9)4-3-7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H,14,16)(H,12,13,15).
What are the key properties of 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide?
3-pyridin-3-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-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 82133863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).