2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

C13H18N4OS3 — CID 50964485

IUPAC2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCCSc1nc(CC(=O)NCc2snnc2C(C)C)cs1
InChIInChI=1S/C13H18N4OS3/c1-4-19-13-15-9(7-20-13)5-11(18)14-6-10-12(8(2)3)16-17-21-10/h7-8H,4-6H2,1-3H3,(H,14,18)
InChIKeyZDQBZPRYJPMFCO-UHFFFAOYSA-N
MW342.52 g/mol
LogP3.09
Rot. Bonds7

About 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (PubChem CID 50964485) has the molecular formula C13H18N4OS3 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
PubChem CID50964485
Molecular FormulaC13H18N4OS3
Molecular Weight342.52 g/mol
Exact Mass342.06
IUPAC Name2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide
SMILESCCSc1nc(CC(=O)NCc2snnc2C(C)C)cs1
InChIInChI=1S/C13H18N4OS3/c1-4-19-13-15-9(7-20-13)5-11(18)14-6-10-12(8(2)3)16-17-21-10/h7-8H,4-6H2,1-3H3,(H,14,18)
InChIKeyZDQBZPRYJPMFCO-UHFFFAOYSA-N
XLogP3.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 50952020
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50969240
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90653515
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
CID 70777452
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16899801
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 91792961
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16900183
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899798
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
CID 50967901
N-butyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16899799
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
CID 16900186

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide (CID 50964485) is 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is CCSc1nc(CC(=O)NCc2snnc2C(C)C)cs1.
What is the InChIKey of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
The InChIKey is ZDQBZPRYJPMFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS3/c1-4-19-13-15-9(7-20-13)5-11(18)14-6-10-12(8(2)3)16-17-21-10/h7-8H,4-6H2,1-3H3,(H,14,18).
What are the key properties of 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide?
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide has a molecular weight of 342.52 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 50964485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).