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

C23H23FN4O2S — CID 89469642

IUPAC(2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2C)sc1NC(=O)OCc1ccc2nn(CC)cc2c1
InChIInChI=1S/C23H23FN4O2S/c1-4-19-22(31-21(25-19)18-8-7-17(24)10-14(18)3)26-23(29)30-13-15-6-9-20-16(11-15)12-28(5-2)27-20/h6-12H,4-5,13H2,1-3H3,(H,26,29)
InChIKeyPRDMBAXUMAYATO-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.94
Rot. Bonds6

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

(2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 89469642) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID89469642
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name(2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2C)sc1NC(=O)OCc1ccc2nn(CC)cc2c1
InChIInChI=1S/C23H23FN4O2S/c1-4-19-22(31-21(25-19)18-8-7-17(24)10-14(18)3)26-23(29)30-13-15-6-9-20-16(11-15)12-28(5-2)27-20/h6-12H,4-5,13H2,1-3H3,(H,26,29)
InChIKeyPRDMBAXUMAYATO-UHFFFAOYSA-N
XLogP5.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate (CID 89469642) is (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate is CCc1nc(-c2ccc(F)cc2C)sc1NC(=O)OCc1ccc2nn(CC)cc2c1.
What is the InChIKey of (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is PRDMBAXUMAYATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-4-19-22(31-21(25-19)18-8-7-17(24)10-14(18)3)26-23(29)30-13-15-6-9-20-16(11-15)12-28(5-2)27-20/h6-12H,4-5,13H2,1-3H3,(H,26,29).
What are the key properties of (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
(2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 438.53 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).