5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole

C8H13NOS — CID 59305650

IUPAC5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
SMILESCC(C)(C)OCc1cncs1
InChIInChI=1S/C8H13NOS/c1-8(2,3)10-5-7-4-9-6-11-7/h4,6H,5H2,1-3H3
InChIKeyAIYKUYQGRLBMSM-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.46
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole

5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole (PubChem CID 59305650) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
PubChem CID59305650
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
SMILESCC(C)(C)OCc1cncs1
InChIInChI=1S/C8H13NOS/c1-8(2,3)10-5-7-4-9-6-11-7/h4,6H,5H2,1-3H3
InChIKeyAIYKUYQGRLBMSM-UHFFFAOYSA-N
XLogP2.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-(methoxymethyl)-1,3-thiazole
CID 144576341
5-(propoxymethyl)-1,3-thiazole
CID 178117265
2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112640397
3-methoxy-3-methyl-1-(1,3-thiazol-5-yl)butan-2-ol
CID 112642616
1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642005
(E)-3-[5-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 112641188
5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole
CID 90352507
1,3-thiazol-5-ylmethyl N-ethylcarbamate
CID 123862472
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
5-(3-bromo-4,4-dimethylpentyl)-1,3-thiazole
CID 112643843
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole (CID 59305650) is 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole is CC(C)(C)OCc1cncs1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole?
The InChIKey is AIYKUYQGRLBMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-8(2,3)10-5-7-4-9-6-11-7/h4,6H,5H2,1-3H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole?
5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole has a molecular weight of 171.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 59305650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).