(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate

C23H23FN4O3S — CID 89469741

IUPAC(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2OC)sc1NC(=O)OCc1ccc2c(cnn2CC)c1
InChIInChI=1S/C23H23FN4O3S/c1-4-18-22(32-21(26-18)17-8-7-16(24)11-20(17)30-3)27-23(29)31-13-14-6-9-19-15(10-14)12-25-28(19)5-2/h6-12H,4-5,13H2,1-3H3,(H,27,29)
InChIKeyAUUWZWGJVMNFFS-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.64
Rot. Bonds7

About (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate

(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 89469741) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID89469741
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2OC)sc1NC(=O)OCc1ccc2c(cnn2CC)c1
InChIInChI=1S/C23H23FN4O3S/c1-4-18-22(32-21(26-18)17-8-7-16(24)11-20(17)30-3)27-23(29)31-13-14-6-9-19-15(10-14)12-25-28(19)5-2/h6-12H,4-5,13H2,1-3H3,(H,27,29)
InChIKeyAUUWZWGJVMNFFS-UHFFFAOYSA-N
XLogP5.64
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate (CID 89469741) is (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate is CCc1nc(-c2ccc(F)cc2OC)sc1NC(=O)OCc1ccc2c(cnn2CC)c1.
What is the InChIKey of (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is AUUWZWGJVMNFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-4-18-22(32-21(26-18)17-8-7-16(24)11-20(17)30-3)27-23(29)31-13-14-6-9-19-15(10-14)12-25-28(19)5-2/h6-12H,4-5,13H2,1-3H3,(H,27,29).
What are the key properties of (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate?
(1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 454.53 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).