N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C16H22N4O2S — CID 122144115

IUPACN-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CCO)CCNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H22N4O2S/c1-2-20(9-10-21)8-7-18-15(22)11-13-12-23-16(19-13)14-5-3-4-6-17-14/h3-6,12,21H,2,7-11H2,1H3,(H,18,22)
InChIKeyDTQULPPPRURYRW-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.18
Rot. Bonds9

About N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 122144115) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID122144115
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCCN(CCO)CCNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H22N4O2S/c1-2-20(9-10-21)8-7-18-15(22)11-13-12-23-16(19-13)14-5-3-4-6-17-14/h3-6,12,21H,2,7-11H2,1H3,(H,18,22)
InChIKeyDTQULPPPRURYRW-UHFFFAOYSA-N
XLogP1.18
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34234720
N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122
N-(3-ethoxypropyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32979634
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 125431826
N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119641011
N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 86906795
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-(1-hydroxy-3-methylpentan-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 110002106
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27768196
N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 126818688
N-[3-(diethylamino)propyl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetamide
CID 39084376

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 122144115) is N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CCN(CCO)CCNC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is DTQULPPPRURYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-20(9-10-21)8-7-18-15(22)11-13-12-23-16(19-13)14-5-3-4-6-17-14/h3-6,12,21H,2,7-11H2,1H3,(H,18,22).
What are the key properties of N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 122144115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).