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

C15H19ClN2O3S2 — CID 23830214

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide
SMILESCCC(SC1=NCCS1)C(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H19ClN2O3S2/c1-4-13(23-15-17-5-6-22-15)14(19)18-10-7-9(16)11(20-2)8-12(10)21-3/h7-8,13H,4-6H2,1-3H3,(H,18,19)
InChIKeyWEKFFFYYRZTFEN-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.91
Rot. Bonds6

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

N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide (PubChem CID 23830214) has the molecular formula C15H19ClN2O3S2 and a molecular weight of 374.92 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide
PubChem CID23830214
Molecular FormulaC15H19ClN2O3S2
Molecular Weight374.92 g/mol
Exact Mass374.05
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide
SMILESCCC(SC1=NCCS1)C(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C15H19ClN2O3S2/c1-4-13(23-15-17-5-6-22-15)14(19)18-10-7-9(16)11(20-2)8-12(10)21-3/h7-8,13H,4-6H2,1-3H3,(H,18,19)
InChIKeyWEKFFFYYRZTFEN-UHFFFAOYSA-N
XLogP3.91
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide
CID 2939890
2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanoylamino]benzoic acid
CID 23857896
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 23998235
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide
CID 18901971
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)butanamide
CID 23772212
4-amino-5-(5-chloro-2,4-dimethoxyanilino)-5-oxopentanoic acid
CID 64895589
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 19317292
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
2-acetamido-N-(5-chloro-2,4-dimethoxyphenyl)-3-sulfanylpropanamide
CID 107768964
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23970433
(2S)-2-amino-N-(4-chloro-2,5-dimethoxyphenyl)pentanamide
CID 107567961

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide (CID 23830214) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide is CCC(SC1=NCCS1)C(=O)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide?
The InChIKey is WEKFFFYYRZTFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S2/c1-4-13(23-15-17-5-6-22-15)14(19)18-10-7-9(16)11(20-2)8-12(10)21-3/h7-8,13H,4-6H2,1-3H3,(H,18,19).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide has a molecular weight of 374.92 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide is sourced from PubChem (CID 23830214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).