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

C16H21N3O2S — CID 125169864

IUPAC2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cc(C)ccc1OCCN)c1nccs1
InChIInChI=1S/C16H21N3O2S/c1-3-13(16-18-7-9-22-16)19-15(20)12-10-11(2)4-5-14(12)21-8-6-17/h4-5,7,9-10,13H,3,6,8,17H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyYSGLKAHXWBIASR-CYBMUJFWSA-N
MW319.43 g/mol
LogP2.67
Rot. Bonds7

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

2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 125169864) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID125169864
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1cc(C)ccc1OCCN)c1nccs1
InChIInChI=1S/C16H21N3O2S/c1-3-13(16-18-7-9-22-16)19-15(20)12-10-11(2)4-5-14(12)21-8-6-17/h4-5,7,9-10,13H,3,6,8,17H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyYSGLKAHXWBIASR-CYBMUJFWSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethoxy)-5-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 118783713
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 103296531
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 107185291
5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 125439176
2-(3-aminopropoxy)-4-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 125179193
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
2-(2-aminoethoxy)-5-methyl-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 119065793
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 115437914

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide (CID 125169864) is 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide is CC[C@@H](NC(=O)c1cc(C)ccc1OCCN)c1nccs1.
What is the InChIKey of 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is YSGLKAHXWBIASR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-13(16-18-7-9-22-16)19-15(20)12-10-11(2)4-5-14(12)21-8-6-17/h4-5,7,9-10,13H,3,6,8,17H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide?
2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 319.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 125169864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).