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

C13H10N4OS2 — CID 1245524

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H10N4OS2/c18-11(8-10-2-1-7-19-10)15-13-17-16-12(20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,15,17,18)
InChIKeyPQXSZIBWQDBEPD-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.84
Rot. Bonds4

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

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 1245524) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID1245524
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C13H10N4OS2/c18-11(8-10-2-1-7-19-10)15-13-17-16-12(20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,15,17,18)
InChIKeyPQXSZIBWQDBEPD-UHFFFAOYSA-N
XLogP2.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-Pyridinyl)-1,3,4-thiadiazol-2-YL]-2-thiophenecarboxamide
CID 1080952
1-acetyl-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine
CID 2980597
1-[3-Pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one
CID 3978169
Acetamide, N-(5-(4-pyridyl)-1,3,4-thiadiazol-2-yl)-
CID 19289
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2558670
2-Methyl-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one
CID 3961312
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207414
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207416
N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-(2-pyridinylthio)acetamide
CID 2968297
1-[3-Pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one
CID 4011449
2-phenyl-N-[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982574
2-phenyl-N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982575

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide (CID 1245524) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is PQXSZIBWQDBEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c18-11(8-10-2-1-7-19-10)15-13-17-16-12(20-13)9-3-5-14-6-4-9/h1-7H,8H2,(H,15,17,18).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 302.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1245524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).