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

C9H11N3OS3 — CID 3077781

IUPAC2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide
SMILESCCCSc1snc(SCC(N)=O)c1C#N
InChIInChI=1S/C9H11N3OS3/c1-2-3-14-9-6(4-10)8(12-16-9)15-5-7(11)13/h2-3,5H2,1H3,(H2,11,13)
InChIKeyUCHYSFXLQCFNOP-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.09
Rot. Bonds6

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

2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide (PubChem CID 3077781) has the molecular formula C9H11N3OS3 and a molecular weight of 273.41 g/mol. Its IUPAC name is 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide
PubChem CID3077781
Molecular FormulaC9H11N3OS3
Molecular Weight273.41 g/mol
Exact Mass273.01
IUPAC Name2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide
SMILESCCCSc1snc(SCC(N)=O)c1C#N
InChIInChI=1S/C9H11N3OS3/c1-2-3-14-9-6(4-10)8(12-16-9)15-5-7(11)13/h2-3,5H2,1H3,(H2,11,13)
InChIKeyUCHYSFXLQCFNOP-UHFFFAOYSA-N
XLogP2.09
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide (CID 3077781) is 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide is CCCSc1snc(SCC(N)=O)c1C#N.
What is the InChIKey of 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide?
The InChIKey is UCHYSFXLQCFNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS3/c1-2-3-14-9-6(4-10)8(12-16-9)15-5-7(11)13/h2-3,5H2,1H3,(H2,11,13).
What are the key properties of 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide?
2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide has a molecular weight of 273.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-5-propylsulfanyl-1,2-thiazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 3077781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).