ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C15H16FN3O3S — CID 16883941

IUPACethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(CC(=O)Nc2ccc(C)c(F)c2)cs1
InChIInChI=1S/C15H16FN3O3S/c1-3-22-15(21)19-14-18-11(8-23-14)7-13(20)17-10-5-4-9(2)12(16)6-10/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyOARYEPFJZUPZNJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.34
Rot. Bonds5

About ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883941) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883941
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Nameethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(CC(=O)Nc2ccc(C)c(F)c2)cs1
InChIInChI=1S/C15H16FN3O3S/c1-3-22-15(21)19-14-18-11(8-23-14)7-13(20)17-10-5-4-9(2)12(16)6-10/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H,18,19,21)
InChIKeyOARYEPFJZUPZNJ-UHFFFAOYSA-N
XLogP3.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16883941) is ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(CC(=O)Nc2ccc(C)c(F)c2)cs1.
What is the InChIKey of ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is OARYEPFJZUPZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-3-22-15(21)19-14-18-11(8-23-14)7-13(20)17-10-5-4-9(2)12(16)6-10/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H,18,19,21).
What are the key properties of ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).