2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C11H16N2OS2 — CID 30588636

IUPAC2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSC2CCCC2)n1
InChIInChI=1S/C11H16N2OS2/c1-8-6-16-11(12-8)13-10(14)7-15-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyZBADWTZHSDURQF-UHFFFAOYSA-N
MW256.40 g/mol
LogP3.07
Rot. Bonds4

About 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 30588636) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID30588636
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSC2CCCC2)n1
InChIInChI=1S/C11H16N2OS2/c1-8-6-16-11(12-8)13-10(14)7-15-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14)
InChIKeyZBADWTZHSDURQF-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 30588636) is 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSC2CCCC2)n1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZBADWTZHSDURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-8-6-16-11(12-8)13-10(14)7-15-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,12,13,14).
What are the key properties of 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 256.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 30588636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).