3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide

C13H16N2O2S2 — CID 4679662

IUPAC3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCSC2=NCCS2)c1
InChIInChI=1S/C13H16N2O2S2/c1-17-11-4-2-3-10(9-11)15-12(16)5-7-18-13-14-6-8-19-13/h2-4,9H,5-8H2,1H3,(H,15,16)
InChIKeyIXTPTQQXAXTTHV-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.86
Rot. Bonds5

About 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide

3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide (PubChem CID 4679662) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide
PubChem CID4679662
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCSC2=NCCS2)c1
InChIInChI=1S/C13H16N2O2S2/c1-17-11-4-2-3-10(9-11)15-12(16)5-7-18-13-14-6-8-19-13/h2-4,9H,5-8H2,1H3,(H,15,16)
InChIKeyIXTPTQQXAXTTHV-UHFFFAOYSA-N
XLogP2.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
CID 2241315
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
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CID 9454413
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331739
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CID 110468427
3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122548
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
CID 94264248
2-[[3-(3-methoxyanilino)-3-oxopropyl]-methylamino]propanoic acid;hydrochloride
CID 119913523
3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 23746060
3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 17137114

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide (CID 4679662) is 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCSC2=NCCS2)c1.
What is the InChIKey of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is IXTPTQQXAXTTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-17-11-4-2-3-10(9-11)15-12(16)5-7-18-13-14-6-8-19-13/h2-4,9H,5-8H2,1H3,(H,15,16).
What are the key properties of 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide?
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 296.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 4679662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).