2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide

C15H20N2OS2 — CID 23801598

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)SC1=NCCS1
InChIInChI=1S/C15H20N2OS2/c1-4-12-7-5-6-10(2)13(12)17-14(18)11(3)20-15-16-8-9-19-15/h5-7,11H,4,8-9H2,1-3H3,(H,17,18)
InChIKeySFGRBPWRAYQOCS-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.72
Rot. Bonds4

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 23801598) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID23801598
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)SC1=NCCS1
InChIInChI=1S/C15H20N2OS2/c1-4-12-7-5-6-10(2)13(12)17-14(18)11(3)20-15-16-8-9-19-15/h5-7,11H,4,8-9H2,1-3H3,(H,17,18)
InChIKeySFGRBPWRAYQOCS-UHFFFAOYSA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)butanamide
CID 23772212
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 4668562
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23858692
2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide
CID 18894207
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
CID 7743336
(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
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23886481
(2R)-N-(4-cyanophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 9454380
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
(Z)-4-[4-[(2R)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-2-methyl-4-oxobut-2-enoic acid
CID 93267089
(Z)-4-[4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylanilino]-2-methyl-4-oxobut-2-enoic acid
CID 93267090

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide (CID 23801598) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)C(C)SC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is SFGRBPWRAYQOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-4-12-7-5-6-10(2)13(12)17-14(18)11(3)20-15-16-8-9-19-15/h5-7,11H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 308.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 23801598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).