2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

C8H9N5OS3 — CID 2994444

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nnc(N)s1)C(=O)Nc1nccs1
InChIInChI=1S/C8H9N5OS3/c1-4(16-8-13-12-6(9)17-8)5(14)11-7-10-2-3-15-7/h2-4H,1H3,(H2,9,12)(H,10,11,14)
InChIKeyPBDNUYZJJDBHFC-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.70
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2994444) has the molecular formula C8H9N5OS3 and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2994444
Molecular FormulaC8H9N5OS3
Molecular Weight287.39 g/mol
Exact Mass287.00
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nnc(N)s1)C(=O)Nc1nccs1
InChIInChI=1S/C8H9N5OS3/c1-4(16-8-13-12-6(9)17-8)5(14)11-7-10-2-3-15-7/h2-4H,1H3,(H2,9,12)(H,10,11,14)
InChIKeyPBDNUYZJJDBHFC-UHFFFAOYSA-N
XLogP1.70
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 1887129
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3882642
2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 6458326
2-((5-Cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-2-thiazolylacetamide
CID 6466212
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6467181
2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6471089
2-(4-Ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 6501062
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 24980829
2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 971169
2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-1,3-thiazol-2-ylbutanamide
CID 2952251
2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)-N-(thiazol-2-yl)acetamide
CID 15944860

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (CID 2994444) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is CC(Sc1nnc(N)s1)C(=O)Nc1nccs1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PBDNUYZJJDBHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS3/c1-4(16-8-13-12-6(9)17-8)5(14)11-7-10-2-3-15-7/h2-4H,1H3,(H2,9,12)(H,10,11,14).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 287.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2994444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).