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

C14H18N2O3S2 — CID 23998235

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)SC2=NCCS2)c(OC)c1
InChIInChI=1S/C14H18N2O3S2/c1-9(21-14-15-6-7-20-14)13(17)16-11-5-4-10(18-2)8-12(11)19-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyLYVXKGLDXQURMA-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.87
Rot. Bonds5

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

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 23998235) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID23998235
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)SC2=NCCS2)c(OC)c1
InChIInChI=1S/C14H18N2O3S2/c1-9(21-14-15-6-7-20-14)13(17)16-11-5-4-10(18-2)8-12(11)19-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKeyLYVXKGLDXQURMA-UHFFFAOYSA-N
XLogP2.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea
CID 5146476
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9398153
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47265591
(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7121120
2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 18900966
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide
CID 2939890
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
CID 17403739
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23858692
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide
CID 23830214
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454339
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454338
(E)-4-[3-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18896730

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide (CID 23998235) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)SC2=NCCS2)c(OC)c1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is LYVXKGLDXQURMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-9(21-14-15-6-7-20-14)13(17)16-11-5-4-10(18-2)8-12(11)19-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 23998235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).