N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C16H20N2O3S — CID 32605316

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCOCc1ccccc1CNC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C16H20N2O3S/c1-12-11-22-16(20)18(12)8-7-15(19)17-9-13-5-3-4-6-14(13)10-21-2/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyICVJJPKLHKWVSB-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.07
Rot. Bonds7

About N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 32605316) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID32605316
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCOCc1ccccc1CNC(=O)CCn1c(C)csc1=O
InChIInChI=1S/C16H20N2O3S/c1-12-11-22-16(20)18(12)8-7-15(19)17-9-13-5-3-4-6-14(13)10-21-2/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyICVJJPKLHKWVSB-UHFFFAOYSA-N
XLogP2.07
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.07
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',N'-diphenylpropanehydrazide
CID 55436719
N-[(4-acetamidophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24628966
N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide
CID 29220127
N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110879152
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134029589
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxybutyl)propanamide
CID 17429509
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 27164511
N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 32603613
2-chloro-N-[2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]ethyl]benzamide
CID 55659567
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27171008
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 32605316) is N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is COCc1ccccc1CNC(=O)CCn1c(C)csc1=O.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is ICVJJPKLHKWVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-11-22-16(20)18(12)8-7-15(19)17-9-13-5-3-4-6-14(13)10-21-2/h3-6,11H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 320.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 32605316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).