2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide

C7H7N3OS3 — CID 3060107

IUPAC2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide
SMILESCSc1nsc(SCC(N)=O)c1C#N
InChIInChI=1S/C7H7N3OS3/c1-12-6-4(2-8)7(14-10-6)13-3-5(9)11/h3H2,1H3,(H2,9,11)
InChIKeyMFYYWTISBNDSPK-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.31
Rot. Bonds4

About 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide

2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide (PubChem CID 3060107) has the molecular formula C7H7N3OS3 and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide
PubChem CID3060107
Molecular FormulaC7H7N3OS3
Molecular Weight245.35 g/mol
Exact Mass244.98
IUPAC Name2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide
SMILESCSc1nsc(SCC(N)=O)c1C#N
InChIInChI=1S/C7H7N3OS3/c1-12-6-4(2-8)7(14-10-6)13-3-5(9)11/h3H2,1H3,(H2,9,11)
InChIKeyMFYYWTISBNDSPK-UHFFFAOYSA-N
XLogP1.31
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide (CID 3060107) is 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide is CSc1nsc(SCC(N)=O)c1C#N.
What is the InChIKey of 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide?
The InChIKey is MFYYWTISBNDSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS3/c1-12-6-4(2-8)7(14-10-6)13-3-5(9)11/h3H2,1H3,(H2,9,11).
What are the key properties of 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide?
2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide has a molecular weight of 245.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 3060107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).