3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide

C16H21N3O3S — CID 56791210

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
SMILESCCOc1cc(CNC(=O)CCn2c(C)c(C)sc2=O)ccn1
InChIInChI=1S/C16H21N3O3S/c1-4-22-15-9-13(5-7-17-15)10-18-14(20)6-8-19-11(2)12(3)23-16(19)21/h5,7,9H,4,6,8,10H2,1-3H3,(H,18,20)
InChIKeyWVMRHEAWSGMDMJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.03
Rot. Bonds7

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide (PubChem CID 56791210) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
PubChem CID56791210
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
SMILESCCOc1cc(CNC(=O)CCn2c(C)c(C)sc2=O)ccn1
InChIInChI=1S/C16H21N3O3S/c1-4-22-15-9-13(5-7-17-15)10-18-14(20)6-8-19-11(2)12(3)23-16(19)21/h5,7,9H,4,6,8,10H2,1-3H3,(H,18,20)
InChIKeyWVMRHEAWSGMDMJ-UHFFFAOYSA-N
XLogP2.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide with MolForge

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Related Compounds

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide
CID 55715961
N-[(2-ethoxy-4-pyridinyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55707854
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]butanamide
CID 55723602
N-[(2-ethoxy-4-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 52606280
N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78876055
N'-[2-[(2-ethoxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-prop-2-enyloxamide
CID 51109269
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
4-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]benzamide
CID 55716054
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55707848
N-[(2-ethoxy-4-pyridinyl)methyl]-9-oxofluorene-2-carboxamide
CID 55723662
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]acetamide
CID 78876056
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide (CID 56791210) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide is CCOc1cc(CNC(=O)CCn2c(C)c(C)sc2=O)ccn1.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
The InChIKey is WVMRHEAWSGMDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-22-15-9-13(5-7-17-15)10-18-14(20)6-8-19-11(2)12(3)23-16(19)21/h5,7,9H,4,6,8,10H2,1-3H3,(H,18,20).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide has a molecular weight of 335.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[(2-ethoxy-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 56791210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).