N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide

C13H16N2O2S2 — CID 47265591

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-9(12(16)15-13-14-7-8-18-13)19-11-5-3-10(17-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyVWWQNUBWEIJIMI-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.39
Rot. Bonds4

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 47265591) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID47265591
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-9(12(16)15-13-14-7-8-18-13)19-11-5-3-10(17-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyVWWQNUBWEIJIMI-UHFFFAOYSA-N
XLogP2.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 47265585
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 23998235
(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 95083634
(2S)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119238130
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28631658
(2S)-N-(6-chloropyridazin-3-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 96532922
(2R)-2-(4-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 26028746

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 47265591) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is VWWQNUBWEIJIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9(12(16)15-13-14-7-8-18-13)19-11-5-3-10(17-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 296.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 47265591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).