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

C8H8N4OS3 — CID 649689

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nccs2)s1
InChIInChI=1S/C8H8N4OS3/c1-5-11-12-8(16-5)15-4-6(13)10-7-9-2-3-14-7/h2-3H,4H2,1H3,(H,9,10,13)
InChIKeyULLHQGSICHGWRN-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.03
Rot. Bonds4

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 649689) has the molecular formula C8H8N4OS3 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID649689
Molecular FormulaC8H8N4OS3
Molecular Weight272.38 g/mol
Exact Mass271.99
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nnc(SCC(=O)Nc2nccs2)s1
InChIInChI=1S/C8H8N4OS3/c1-5-11-12-8(16-5)15-4-6(13)10-7-9-2-3-14-7/h2-3H,4H2,1H3,(H,9,10,13)
InChIKeyULLHQGSICHGWRN-UHFFFAOYSA-N
XLogP2.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Acetamidothiazole
CID 17625
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
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 649689) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nnc(SCC(=O)Nc2nccs2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ULLHQGSICHGWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS3/c1-5-11-12-8(16-5)15-4-6(13)10-7-9-2-3-14-7/h2-3H,4H2,1H3,(H,9,10,13).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 272.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 649689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).