ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate

C7H8FNO2S — CID 158423307

IUPACethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CF)s1
InChIInChI=1S/C7H8FNO2S/c1-2-11-7(10)5-4-9-6(3-8)12-5/h4H,2-3H2,1H3
InChIKeyHATBCYPDRONWMU-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.79
Rot. Bonds3

About ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 158423307) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID158423307
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Nameethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CF)s1
InChIInChI=1S/C7H8FNO2S/c1-2-11-7(10)5-4-9-6(3-8)12-5/h4H,2-3H2,1H3
InChIKeyHATBCYPDRONWMU-UHFFFAOYSA-N
XLogP1.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tizoprolic Acid
CID 65773
5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
Methyl 2-bromothiazole-5-carboxylate
CID 2773502
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
Ethyl 2-bromothiazole-5-carboxylate
CID 3614103
Ethyl thiazole-5-carboxylate
CID 459108
Methyl 1,3-thiazole-5-carboxylate
CID 331117
Methyl 2-chloro-1,3-thiazole-5-carboxylate
CID 12897294
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
Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 15171126

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate (CID 158423307) is ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(CF)s1.
What is the InChIKey of ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is HATBCYPDRONWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-2-11-7(10)5-4-9-6(3-8)12-5/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 158423307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).