N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide

C11H18N2O3S — CID 90649803

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCc1nc(C)c(C)s1
InChIInChI=1S/C11H18N2O3S/c1-8-9(2)17-11(13-8)6-12-10(14)7-16-5-4-15-3/h4-7H2,1-3H3,(H,12,14)
InChIKeyLZXAQVUKOBAGRP-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.04
Rot. Bonds7

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 90649803) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide
PubChem CID90649803
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCc1nc(C)c(C)s1
InChIInChI=1S/C11H18N2O3S/c1-8-9(2)17-11(13-8)6-12-10(14)7-16-5-4-15-3/h4-7H2,1-3H3,(H,12,14)
InChIKeyLZXAQVUKOBAGRP-UHFFFAOYSA-N
XLogP1.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-morpholinecarboxamide
CID 56882442
(2S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-1,4-dioxane-2-carboxamide
CID 96196690
4,5-dimethyl-N-(oxetan-3-yl)-1,3-thiazole-2-carboxamide
CID 137956546
1-(2,6-Dimethylmorpholin-4-yl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanone
CID 71868850
N-[(2-Ethyl-4-methyl-1,3-thiazol-5-YL)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91764464
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 53642129
[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl](2-methoxyethyl)amine
CID 46784794
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 46784800
N-({1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)-2-methoxyacetamide
CID 50978508
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55084739
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4-dioxane-2-carboxamide
CID 56748454
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methoxyacetamide
CID 56823152

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide (CID 90649803) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCc1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is LZXAQVUKOBAGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-9(2)17-11(13-8)6-12-10(14)7-16-5-4-15-3/h4-7H2,1-3H3,(H,12,14).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 258.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 90649803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).