2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid

C7H7F2NO2S — CID 84779350

IUPAC2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1C(F)F
InChIInChI=1S/C7H7F2NO2S/c1-3-6(7(8)9)13-4(10-3)2-5(11)12/h7H,2H2,1H3,(H,11,12)
InChIKeyTYITZIIQJSJUBZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.02
Rot. Bonds3

About 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid

2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid (PubChem CID 84779350) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
PubChem CID84779350
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
SMILESCc1nc(CC(=O)O)sc1C(F)F
InChIInChI=1S/C7H7F2NO2S/c1-3-6(7(8)9)13-4(10-3)2-5(11)12/h7H,2H2,1H3,(H,11,12)
InChIKeyTYITZIIQJSJUBZ-UHFFFAOYSA-N
XLogP2.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid (CID 84779350) is 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid is Cc1nc(CC(=O)O)sc1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
The InChIKey is TYITZIIQJSJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c1-3-6(7(8)9)13-4(10-3)2-5(11)12/h7H,2H2,1H3,(H,11,12).
What are the key properties of 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid?
2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid has a molecular weight of 207.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-methyl-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 84779350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).