2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C14H19N3OS4 — CID 46667554

IUPAC2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCCSc1nnc(SCC(=O)NC(c2cccs2)C(C)C)s1
InChIInChI=1S/C14H19N3OS4/c1-4-19-13-16-17-14(22-13)21-8-11(18)15-12(9(2)3)10-6-5-7-20-10/h5-7,9,12H,4,8H2,1-3H3,(H,15,18)
InChIKeyXJJCDVGERZYJEU-UHFFFAOYSA-N
MW373.59 g/mol
LogP4.32
Rot. Bonds8

About 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 46667554) has the molecular formula C14H19N3OS4 and a molecular weight of 373.59 g/mol. Its IUPAC name is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID46667554
Molecular FormulaC14H19N3OS4
Molecular Weight373.59 g/mol
Exact Mass373.04
IUPAC Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCCSc1nnc(SCC(=O)NC(c2cccs2)C(C)C)s1
InChIInChI=1S/C14H19N3OS4/c1-4-19-13-16-17-14(22-13)21-8-11(18)15-12(9(2)3)10-6-5-7-20-10/h5-7,9,12H,4,8H2,1-3H3,(H,15,18)
InChIKeyXJJCDVGERZYJEU-UHFFFAOYSA-N
XLogP4.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide with MolForge

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Related Compounds

2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43036478
N-(2-methyl-1-thiophen-2-ylpropyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 24569521
2-(4-aminophenyl)sulfanyl-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43298965
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7737918
2-[[5-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 46825279
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7376685
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 78761496
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-[(5-amino-4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 52505836
N-(dicyclopropylmethyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47144275
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9221236
1,1-diethyl-3-(2-methyl-1-thiophen-2-ylpropyl)urea
CID 115575874

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 46667554) is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CCSc1nnc(SCC(=O)NC(c2cccs2)C(C)C)s1.
What is the InChIKey of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is XJJCDVGERZYJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS4/c1-4-19-13-16-17-14(22-13)21-8-11(18)15-12(9(2)3)10-6-5-7-20-10/h5-7,9,12H,4,8H2,1-3H3,(H,15,18).
What are the key properties of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 373.59 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 46667554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).