methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

C14H12FNO2S — CID 66844913

IUPACmethyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2S/c1-18-14(17)11-12(8-4-6-10(15)7-5-8)19-13(16-11)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyWWDKPPVDASUYOI-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.61
Rot. Bonds3

About methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate

methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (PubChem CID 66844913) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
PubChem CID66844913
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Namemethyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2S/c1-18-14(17)11-12(8-4-6-10(15)7-5-8)19-13(16-11)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyWWDKPPVDASUYOI-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate (CID 66844913) is methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2CC2)sc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WWDKPPVDASUYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-18-14(17)11-12(8-4-6-10(15)7-5-8)19-13(16-11)9-2-3-9/h4-7,9H,2-3H2,1H3.
What are the key properties of methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate?
methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 66844913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).