ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

C16H16F3NO2S — CID 58934107

IUPACethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC
InChIInChI=1S/C16H16F3NO2S/c1-3-5-12-13(15(21)22-4-2)23-14(20-12)10-6-8-11(9-7-10)16(17,18)19/h6-9H,3-5H2,1-2H3
InChIKeyJZZZHUYRAZPVNS-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.96
Rot. Bonds5

About ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate (PubChem CID 58934107) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
PubChem CID58934107
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Nameethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC
InChIInChI=1S/C16H16F3NO2S/c1-3-5-12-13(15(21)22-4-2)23-14(20-12)10-6-8-11(9-7-10)16(17,18)19/h6-9H,3-5H2,1-2H3
InChIKeyJZZZHUYRAZPVNS-UHFFFAOYSA-N
XLogP4.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate (CID 58934107) is ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is CCCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC.
What is the InChIKey of ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is JZZZHUYRAZPVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-3-5-12-13(15(21)22-4-2)23-14(20-12)10-6-8-11(9-7-10)16(17,18)19/h6-9H,3-5H2,1-2H3.
What are the key properties of ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 343.37 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58934107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).