2-(2-fluoropropoxy)-5-methyl-1,3-thiazole

C7H10FNOS — CID 165040980

IUPAC2-(2-fluoropropoxy)-5-methyl-1,3-thiazole
SMILESCc1cnc(OCC(C)F)s1
InChIInChI=1S/C7H10FNOS/c1-5(8)4-10-7-9-3-6(2)11-7/h3,5H,4H2,1-2H3
InChIKeyNBUDVBDKSONXSU-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.19
Rot. Bonds3

About 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole

2-(2-fluoropropoxy)-5-methyl-1,3-thiazole (PubChem CID 165040980) has the molecular formula C7H10FNOS and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-fluoropropoxy)-5-methyl-1,3-thiazole
PubChem CID165040980
Molecular FormulaC7H10FNOS
Molecular Weight175.23 g/mol
Exact Mass175.05
IUPAC Name2-(2-fluoropropoxy)-5-methyl-1,3-thiazole
SMILESCc1cnc(OCC(C)F)s1
InChIInChI=1S/C7H10FNOS/c1-5(8)4-10-7-9-3-6(2)11-7/h3,5H,4H2,1-2H3
InChIKeyNBUDVBDKSONXSU-UHFFFAOYSA-N
XLogP2.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole (CID 165040980) is 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole is Cc1cnc(OCC(C)F)s1.
What is the InChIKey of 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole?
The InChIKey is NBUDVBDKSONXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNOS/c1-5(8)4-10-7-9-3-6(2)11-7/h3,5H,4H2,1-2H3.
What are the key properties of 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole?
2-(2-fluoropropoxy)-5-methyl-1,3-thiazole has a molecular weight of 175.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropoxy)-5-methyl-1,3-thiazole is sourced from PubChem (CID 165040980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).