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

C22H21FN4O2S — CID 89459698

IUPAC[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate
SMILESCCn1cc2cc(NC(=O)OCc3sc(-c4ccc(F)cc4C)nc3C)ccc2n1
InChIInChI=1S/C22H21FN4O2S/c1-4-27-11-15-10-17(6-8-19(15)26-27)25-22(28)29-12-20-14(3)24-21(30-20)18-7-5-16(23)9-13(18)2/h5-11H,4,12H2,1-3H3,(H,25,28)
InChIKeyISWVEWPAGMBGPO-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.68
Rot. Bonds5

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

[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate (PubChem CID 89459698) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate.

Molecular Properties

Compound Name[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate
PubChem CID89459698
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate
SMILESCCn1cc2cc(NC(=O)OCc3sc(-c4ccc(F)cc4C)nc3C)ccc2n1
InChIInChI=1S/C22H21FN4O2S/c1-4-27-11-15-10-17(6-8-19(15)26-27)25-22(28)29-12-20-14(3)24-21(30-20)18-7-5-16(23)9-13(18)2/h5-11H,4,12H2,1-3H3,(H,25,28)
InChIKeyISWVEWPAGMBGPO-UHFFFAOYSA-N
XLogP5.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate?
The IUPAC name of [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate (CID 89459698) is [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate.
What is the SMILES notation for [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate?
The canonical SMILES for [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate is CCn1cc2cc(NC(=O)OCc3sc(-c4ccc(F)cc4C)nc3C)ccc2n1.
What is the InChIKey of [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate?
The InChIKey is ISWVEWPAGMBGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-4-27-11-15-10-17(6-8-19(15)26-27)25-22(28)29-12-20-14(3)24-21(30-20)18-7-5-16(23)9-13(18)2/h5-11H,4,12H2,1-3H3,(H,25,28).
What are the key properties of [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate?
[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate has a molecular weight of 424.50 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-ethylindazol-5-yl)carbamate is sourced from PubChem (CID 89459698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).