N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C13H15N3O2S2 — CID 2532354

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nncs2)cc1
InChIInChI=1S/C13H15N3O2S2/c1-18-11-4-2-10(3-5-11)6-7-14-12(17)8-19-13-16-15-9-20-13/h2-5,9H,6-8H2,1H3,(H,14,17)
InChIKeyNOVMHLOCIFFYMS-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.00
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2532354) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2532354
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCOc1ccc(CCNC(=O)CSc2nncs2)cc1
InChIInChI=1S/C13H15N3O2S2/c1-18-11-4-2-10(3-5-11)6-7-14-12(17)8-19-13-16-15-9-20-13/h2-5,9H,6-8H2,1H3,(H,14,17)
InChIKeyNOVMHLOCIFFYMS-UHFFFAOYSA-N
XLogP2.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 4843293
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763193
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 3150891
3-[2-(4-Methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6539160
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1081505
2-[[5-[(4-Methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 4805191
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8209470
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 8222428
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8351095
2-[[5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 8387284
2-[[5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 8387330
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8477762

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2532354) is N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is COc1ccc(CCNC(=O)CSc2nncs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is NOVMHLOCIFFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-18-11-4-2-10(3-5-11)6-7-14-12(17)8-19-13-16-15-9-20-13/h2-5,9H,6-8H2,1H3,(H,14,17).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 309.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2532354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).