4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

C7H8F3NOS — CID 107512011

IUPAC4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCOCc1csc(CC(F)(F)F)n1
InChIInChI=1S/C7H8F3NOS/c1-12-3-5-4-13-6(11-5)2-7(8,9)10/h4H,2-3H2,1H3
InChIKeyMQHJUXUZTBVAQY-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.39
Rot. Bonds3

About 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole

4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (PubChem CID 107512011) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
PubChem CID107512011
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
SMILESCOCc1csc(CC(F)(F)F)n1
InChIInChI=1S/C7H8F3NOS/c1-12-3-5-4-13-6(11-5)2-7(8,9)10/h4H,2-3H2,1H3
InChIKeyMQHJUXUZTBVAQY-UHFFFAOYSA-N
XLogP2.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The IUPAC name of 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole (CID 107512011) is 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The canonical SMILES for 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is COCc1csc(CC(F)(F)F)n1.
What is the InChIKey of 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
The InChIKey is MQHJUXUZTBVAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-12-3-5-4-13-6(11-5)2-7(8,9)10/h4H,2-3H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole?
4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole has a molecular weight of 211.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole is sourced from PubChem (CID 107512011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).