N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C17H22N2O3S — CID 51983397

IUPACN-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCC[C@@H](NC(=O)CCn1c(C)csc1=O)c1ccccc1OC
InChIInChI=1S/C17H22N2O3S/c1-4-14(13-7-5-6-8-15(13)22-3)18-16(20)9-10-19-12(2)11-23-17(19)21/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyHGLJMWYXOGTYJO-CQSZACIVSA-N
MW334.44 g/mol
LogP2.88
Rot. Bonds7

About N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 51983397) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID51983397
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCC[C@@H](NC(=O)CCn1c(C)csc1=O)c1ccccc1OC
InChIInChI=1S/C17H22N2O3S/c1-4-14(13-7-5-6-8-15(13)22-3)18-16(20)9-10-19-12(2)11-23-17(19)21/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyHGLJMWYXOGTYJO-CQSZACIVSA-N
XLogP2.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 46538944
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 40843663
N-(1-hydroxypropan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110887361
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 35943267
N-(4-amino-2-methoxyphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287035
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 46571971
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86912245
N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74230940
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
CID 55436719
N-[(1S)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 34443252
N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 34443247
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 38836509

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 51983397) is N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is CC[C@@H](NC(=O)CCn1c(C)csc1=O)c1ccccc1OC.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is HGLJMWYXOGTYJO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-14(13-7-5-6-8-15(13)22-3)18-16(20)9-10-19-12(2)11-23-17(19)21/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 334.44 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 51983397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).