N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C15H22N2OS2 — CID 24979385

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C15H22N2OS2/c1-9-7-19-15(16-9)20-8-14(18)17-10(2)13-6-11-3-4-12(13)5-11/h7,10-13H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyRHAXHHTZOWWQJW-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.48
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 24979385) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID24979385
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C15H22N2OS2/c1-9-7-19-15(16-9)20-8-14(18)17-10(2)13-6-11-3-4-12(13)5-11/h7,10-13H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyRHAXHHTZOWWQJW-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 24979385) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is RHAXHHTZOWWQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-9-7-19-15(16-9)20-8-14(18)17-10(2)13-6-11-3-4-12(13)5-11/h7,10-13H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 310.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 24979385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).