3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C16H21N3O2S — CID 118774721

IUPAC3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCCc1nc(C)sc1CNC(=O)c1cccc(OCCN)c1
InChIInChI=1S/C16H21N3O2S/c1-3-14-15(22-11(2)19-14)10-18-16(20)12-5-4-6-13(9-12)21-8-7-17/h4-6,9H,3,7-8,10,17H2,1-2H3,(H,18,20)
InChIKeySNJLPFVWKILIRI-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.28
Rot. Bonds7

About 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide

3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 118774721) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID118774721
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCCc1nc(C)sc1CNC(=O)c1cccc(OCCN)c1
InChIInChI=1S/C16H21N3O2S/c1-3-14-15(22-11(2)19-14)10-18-16(20)12-5-4-6-13(9-12)21-8-7-17/h4-6,9H,3,7-8,10,17H2,1-2H3,(H,18,20)
InChIKeySNJLPFVWKILIRI-UHFFFAOYSA-N
XLogP2.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide
CID 50951360
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
CID 119074684
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide
CID 118781649
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
CID 75482713
N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide
CID 78985877
3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide
CID 118777236
3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136998459
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 118774721) is 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide is CCc1nc(C)sc1CNC(=O)c1cccc(OCCN)c1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is SNJLPFVWKILIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-14-15(22-11(2)19-14)10-18-16(20)12-5-4-6-13(9-12)21-8-7-17/h4-6,9H,3,7-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 319.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 118774721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).