N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C17H22N2O3S2 — CID 97247860

IUPACN-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCSC[C@@H](CCO)NC(=O)c1ccc(OCc2csc(C)n2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-12-18-15(11-24-12)9-22-16-5-3-13(4-6-16)17(21)19-14(7-8-20)10-23-2/h3-6,11,14,20H,7-10H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyZFCYNRTUHOBCMR-CQSZACIVSA-N
MW366.51 g/mol
LogP2.87
Rot. Bonds9

About N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 97247860) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID97247860
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCSC[C@@H](CCO)NC(=O)c1ccc(OCc2csc(C)n2)cc1
InChIInChI=1S/C17H22N2O3S2/c1-12-18-15(11-24-12)9-22-16-5-3-13(4-6-16)17(21)19-14(7-8-20)10-23-2/h3-6,11,14,20H,7-10H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyZFCYNRTUHOBCMR-CQSZACIVSA-N
XLogP2.87
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55473945
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9470615
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26011089
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46655596
N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9273087
N-(1-methylpyrazol-3-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 16622072

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 97247860) is N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is CSC[C@@H](CCO)NC(=O)c1ccc(OCc2csc(C)n2)cc1.
What is the InChIKey of N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is ZFCYNRTUHOBCMR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-12-18-15(11-24-12)9-22-16-5-3-13(4-6-16)17(21)19-14(7-8-20)10-23-2/h3-6,11,14,20H,7-10H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 366.51 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-hydroxy-1-methylsulfanylbutan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 97247860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).