4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid

C8H10FNO2S — CID 19885506

IUPAC4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(CF)c(C(=O)O)s1
InChIInChI=1S/C8H10FNO2S/c1-4(2)7-10-5(3-9)6(13-7)8(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyOMCYGAQTTPUOCZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.43
Rot. Bonds3

About 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid

4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 19885506) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID19885506
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(CF)c(C(=O)O)s1
InChIInChI=1S/C8H10FNO2S/c1-4(2)7-10-5(3-9)6(13-7)8(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyOMCYGAQTTPUOCZ-UHFFFAOYSA-N
XLogP2.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 19885506) is 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(CF)c(C(=O)O)s1.
What is the InChIKey of 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OMCYGAQTTPUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-4(2)7-10-5(3-9)6(13-7)8(11)12/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).