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

C14H18N2O2S2 — CID 2939890

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide
SMILESCCC(SC1=NCCS1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C14H18N2O2S2/c1-3-12(20-14-15-8-9-19-14)13(17)16-10-6-4-5-7-11(10)18-2/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyIPLANIHZYDLNKX-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.25
Rot. Bonds5

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

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide (PubChem CID 2939890) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide
PubChem CID2939890
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide
SMILESCCC(SC1=NCCS1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C14H18N2O2S2/c1-3-12(20-14-15-8-9-19-14)13(17)16-10-6-4-5-7-11(10)18-2/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyIPLANIHZYDLNKX-UHFFFAOYSA-N
XLogP3.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanoylamino]benzoic acid
CID 23857896
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butanamide
CID 23830214
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)butanamide
CID 23772212
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805295
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 23998235
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25042188
(2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide
CID 136833783
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide
CID 136685258
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
N-(2-methoxyphenyl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
CID 2938909
(2R)-2-[(12-ethyl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide
CID 92686885
(2S)-2-ethyl-N-(2-methoxyphenyl)-3-oxobutanamide
CID 868013

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide (CID 2939890) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide is CCC(SC1=NCCS1)C(=O)Nc1ccccc1OC.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide?
The InChIKey is IPLANIHZYDLNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-12(20-14-15-8-9-19-14)13(17)16-10-6-4-5-7-11(10)18-2/h4-7,12H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide has a molecular weight of 310.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 2939890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).