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

C8H8N4OS3 — CID 3955121

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1csc(SCC(=O)Nc2nncs2)n1
InChIInChI=1S/C8H8N4OS3/c1-5-2-14-8(10-5)15-3-6(13)11-7-12-9-4-16-7/h2,4H,3H2,1H3,(H,11,12,13)
InChIKeyXIRYYRKTLWLXOR-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.03
Rot. Bonds4

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 3955121) has the molecular formula C8H8N4OS3 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID3955121
Molecular FormulaC8H8N4OS3
Molecular Weight272.38 g/mol
Exact Mass271.99
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1csc(SCC(=O)Nc2nncs2)n1
InChIInChI=1S/C8H8N4OS3/c1-5-2-14-8(10-5)15-3-6(13)11-7-12-9-4-16-7/h2,4H,3H2,1H3,(H,11,12,13)
InChIKeyXIRYYRKTLWLXOR-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 3955121) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1csc(SCC(=O)Nc2nncs2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XIRYYRKTLWLXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS3/c1-5-2-14-8(10-5)15-3-6(13)11-7-12-9-4-16-7/h2,4H,3H2,1H3,(H,11,12,13).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-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-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 3955121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).