3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide

C15H18N2O2S2 — CID 95064164

IUPAC3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
SMILESCCc1nc(C[S@](=O)CCC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-2-15-17-13(10-20-15)11-21(19)9-8-14(18)16-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,16,18)/t21-/m1/s1
InChIKeyGKNBRNNCQMVYCV-OAQYLSRUSA-N
MW322.45 g/mol
LogP2.98
Rot. Bonds7

About 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide

3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide (PubChem CID 95064164) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
PubChem CID95064164
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
SMILESCCc1nc(C[S@](=O)CCC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-2-15-17-13(10-20-15)11-21(19)9-8-14(18)16-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,16,18)/t21-/m1/s1
InChIKeyGKNBRNNCQMVYCV-OAQYLSRUSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(S)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide
CID 95354034
3-ethylsulfinyl-N-phenylpropanamide
CID 143299200
3-(butanoylamino)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 46982332
5-[[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]methyl]-3-phenyl-1,2-oxazole
CID 95317780
N-(4-acetamidophenyl)-2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 134039427
2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 95321246
N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
CID 95180705
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
CID 47077563
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
3-[(5-chloro-2-methoxyphenyl)methylsulfinyl]-N-phenylpropanamide
CID 56808114
2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 71916844

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide?
The IUPAC name of 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide (CID 95064164) is 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide.
What is the SMILES notation for 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide?
The canonical SMILES for 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide is CCc1nc(C[S@](=O)CCC(=O)Nc2ccccc2)cs1.
What is the InChIKey of 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide?
The InChIKey is GKNBRNNCQMVYCV-OAQYLSRUSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-2-15-17-13(10-20-15)11-21(19)9-8-14(18)16-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,16,18)/t21-/m1/s1.
What are the key properties of 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide?
3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(2-ethyl-1,3-thiazol-4-yl)methylsulfinyl]-N-phenylpropanamide is sourced from PubChem (CID 95064164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).