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

C13H20N2O3S — CID 122559597

IUPACN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide
SMILESCOCc1nc(C)c(CNC(=O)CC2CCOC2)s1
InChIInChI=1S/C13H20N2O3S/c1-9-11(19-13(15-9)8-17-2)6-14-12(16)5-10-3-4-18-7-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKeyJLCBKOJFDNMDLS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.64
Rot. Bonds6

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

N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide (PubChem CID 122559597) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide
PubChem CID122559597
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide
SMILESCOCc1nc(C)c(CNC(=O)CC2CCOC2)s1
InChIInChI=1S/C13H20N2O3S/c1-9-11(19-13(15-9)8-17-2)6-14-12(16)5-10-3-4-18-7-10/h10H,3-8H2,1-2H3,(H,14,16)
InChIKeyJLCBKOJFDNMDLS-UHFFFAOYSA-N
XLogP1.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]oxolane-2-carboxamide
CID 100186892
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 125438010
(2S)-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methyloxolane-2-carboxamide
CID 126429463
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]tetrahydrofuran-3-carboxamide
CID 56752119
N-({1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl}methyl)oxolane-3-carboxamide
CID 166604807
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 45251203
4-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 45819383
2,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47016933
2-methyl-N-[[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65328271
N-[[4-methyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 80174455
N-[[4-methyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 80174551
2-methyl-N-[[4-methyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 80174743

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide?
The IUPAC name of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide (CID 122559597) is N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide?
The canonical SMILES for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide is COCc1nc(C)c(CNC(=O)CC2CCOC2)s1.
What is the InChIKey of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide?
The InChIKey is JLCBKOJFDNMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-11(19-13(15-9)8-17-2)6-14-12(16)5-10-3-4-18-7-10/h10H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide?
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 122559597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).