fluoromethyl 1,3-thiazole-5-carboxylate

C5H4FNO2S — CID 23322372

IUPACfluoromethyl 1,3-thiazole-5-carboxylate
SMILESO=C(OCF)c1cncs1
InChIInChI=1S/C5H4FNO2S/c6-2-9-5(8)4-1-7-3-10-4/h1,3H,2H2
InChIKeyXVPXJMTULVPIJP-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.23
Rot. Bonds2

About fluoromethyl 1,3-thiazole-5-carboxylate

fluoromethyl 1,3-thiazole-5-carboxylate (PubChem CID 23322372) has the molecular formula C5H4FNO2S and a molecular weight of 161.16 g/mol. Its IUPAC name is fluoromethyl 1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namefluoromethyl 1,3-thiazole-5-carboxylate
PubChem CID23322372
Molecular FormulaC5H4FNO2S
Molecular Weight161.16 g/mol
Exact Mass160.99
IUPAC Namefluoromethyl 1,3-thiazole-5-carboxylate
SMILESO=C(OCF)c1cncs1
InChIInChI=1S/C5H4FNO2S/c6-2-9-5(8)4-1-7-3-10-4/h1,3H,2H2
InChIKeyXVPXJMTULVPIJP-UHFFFAOYSA-N
XLogP1.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-aminothiazole-5-carboxylate
CID 238005
Methyl 2-bromothiazole-5-carboxylate
CID 2773502
2-Chloro-thiazole-5-carboxylic acid
CID 1481389
Ethyl 2-bromothiazole-5-carboxylate
CID 3614103
Thiazole-5-carboxylic acid
CID 84494
Ethyl thiazole-5-carboxylate
CID 459108
Methyl 1,3-thiazole-5-carboxylate
CID 331117
Methyl 2-chloro-1,3-thiazole-5-carboxylate
CID 12897294
2-(Methylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 58688333
Methyl 2-acetylthiazole-5-carboxylate
CID 78358133
Ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 19017727
Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791

Frequently Asked Questions

What is the IUPAC name of fluoromethyl 1,3-thiazole-5-carboxylate?
The IUPAC name of fluoromethyl 1,3-thiazole-5-carboxylate (CID 23322372) is fluoromethyl 1,3-thiazole-5-carboxylate.
What is the SMILES notation for fluoromethyl 1,3-thiazole-5-carboxylate?
The canonical SMILES for fluoromethyl 1,3-thiazole-5-carboxylate is O=C(OCF)c1cncs1.
What is the InChIKey of fluoromethyl 1,3-thiazole-5-carboxylate?
The InChIKey is XVPXJMTULVPIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO2S/c6-2-9-5(8)4-1-7-3-10-4/h1,3H,2H2.
What are the key properties of fluoromethyl 1,3-thiazole-5-carboxylate?
fluoromethyl 1,3-thiazole-5-carboxylate has a molecular weight of 161.16 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl 1,3-thiazole-5-carboxylate is sourced from PubChem (CID 23322372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).