N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide

C15H18N2O2S2 — CID 95033110

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide
SMILESCCc1nc(CN(C)C(=O)c2ccc([S@](C)=O)cc2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-4-14-16-12(10-20-14)9-17(2)15(18)11-5-7-13(8-6-11)21(3)19/h5-8,10H,4,9H2,1-3H3/t21-/m0/s1
InChIKeyJIFUYDYTBLCIFF-NRFANRHFSA-N
MW322.46 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide (PubChem CID 95033110) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide
PubChem CID95033110
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide
SMILESCCc1nc(CN(C)C(=O)c2ccc([S@](C)=O)cc2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-4-14-16-12(10-20-14)9-17(2)15(18)11-5-7-13(8-6-11)21(3)19/h5-8,10H,4,9H2,1-3H3/t21-/m0/s1
InChIKeyJIFUYDYTBLCIFF-NRFANRHFSA-N
XLogP2.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzamide
CID 47871180
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 47919453
4-acetyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 47051600
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 111520388
N-[(2-bromophenyl)methyl]-N-methyl-4-methylsulfinylbenzamide
CID 78794386
2-[[(2-ethyl-1,3-thiazol-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 18759069
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(2-methylpyrazol-3-yl)propanamide
CID 138036785
ethyl 4-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylsulfamoyl]benzoate
CID 47959412
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-4-methylsulfinylbenzamide
CID 51187625

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide (CID 95033110) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide is CCc1nc(CN(C)C(=O)c2ccc([S@](C)=O)cc2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide?
The InChIKey is JIFUYDYTBLCIFF-NRFANRHFSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-4-14-16-12(10-20-14)9-17(2)15(18)11-5-7-13(8-6-11)21(3)19/h5-8,10H,4,9H2,1-3H3/t21-/m0/s1.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide has a molecular weight of 322.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-[(S)-methylsulfinyl]benzamide is sourced from PubChem (CID 95033110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).