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

C12H17N5O2S — CID 62399460

IUPACN-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(Cn2cc(CCO)nn2)cs1
InChIInChI=1S/C12H17N5O2S/c1-3-17(9(2)19)12-13-11(8-20-12)7-16-6-10(4-5-18)14-15-16/h6,8,18H,3-5,7H2,1-2H3
InChIKeyXVOITKDUOCIGER-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.69
Rot. Bonds6

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

N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 62399460) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID62399460
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(Cn2cc(CCO)nn2)cs1
InChIInChI=1S/C12H17N5O2S/c1-3-17(9(2)19)12-13-11(8-20-12)7-16-6-10(4-5-18)14-15-16/h6,8,18H,3-5,7H2,1-2H3
InChIKeyXVOITKDUOCIGER-UHFFFAOYSA-N
XLogP0.69
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[4-(aminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62054638
N-[4-[[4-(3-aminopropyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106221282
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanol
CID 62401873
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
CID 120660844
N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62401102
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115631792
3-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107460976
N-ethyl-N-[4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62015492
N-ethyl-N-[4-[[(1-methylpyrazol-3-yl)methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 82882559
N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71878560

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 62399460) is N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(Cn2cc(CCO)nn2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XVOITKDUOCIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-17(9(2)19)12-13-11(8-20-12)7-16-6-10(4-5-18)14-15-16/h6,8,18H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 295.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 62399460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).