2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole

C8H13NOS — CID 58942650

IUPAC2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole
SMILESCOCc1ncc(C(C)C)s1
InChIInChI=1S/C8H13NOS/c1-6(2)7-4-9-8(11-7)5-10-3/h4,6H,5H2,1-3H3
InChIKeyUMTXTAGIFMGQFA-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.41
Rot. Bonds3

About 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole

2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 58942650) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole
PubChem CID58942650
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole
SMILESCOCc1ncc(C(C)C)s1
InChIInChI=1S/C8H13NOS/c1-6(2)7-4-9-8(11-7)5-10-3/h4,6H,5H2,1-3H3
InChIKeyUMTXTAGIFMGQFA-UHFFFAOYSA-N
XLogP2.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole (CID 58942650) is 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole is COCc1ncc(C(C)C)s1.
What is the InChIKey of 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is UMTXTAGIFMGQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)7-4-9-8(11-7)5-10-3/h4,6H,5H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole?
2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 171.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 58942650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).