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

C23H24N4O2S — CID 89459688

IUPAC[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate
SMILESCCn1ncc2cc(NC(=O)OCc3sc(-c4ccc(C)cc4C)nc3C)ccc21
InChIInChI=1S/C23H24N4O2S/c1-5-27-20-9-7-18(11-17(20)12-24-27)26-23(28)29-13-21-16(4)25-22(30-21)19-8-6-14(2)10-15(19)3/h6-12H,5,13H2,1-4H3,(H,26,28)
InChIKeyIVNGWPGHYYUGEY-UHFFFAOYSA-N
MW420.54 g/mol
LogP5.85
Rot. Bonds5

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

[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate (PubChem CID 89459688) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate
PubChem CID89459688
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate
SMILESCCn1ncc2cc(NC(=O)OCc3sc(-c4ccc(C)cc4C)nc3C)ccc21
InChIInChI=1S/C23H24N4O2S/c1-5-27-20-9-7-18(11-17(20)12-24-27)26-23(28)29-13-21-16(4)25-22(30-21)19-8-6-14(2)10-15(19)3/h6-12H,5,13H2,1-4H3,(H,26,28)
InChIKeyIVNGWPGHYYUGEY-UHFFFAOYSA-N
XLogP5.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate?
The IUPAC name of [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate (CID 89459688) is [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate?
The canonical SMILES for [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate is CCn1ncc2cc(NC(=O)OCc3sc(-c4ccc(C)cc4C)nc3C)ccc21.
What is the InChIKey of [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate?
The InChIKey is IVNGWPGHYYUGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-5-27-20-9-7-18(11-17(20)12-24-27)26-23(28)29-13-21-16(4)25-22(30-21)19-8-6-14(2)10-15(19)3/h6-12H,5,13H2,1-4H3,(H,26,28).
What are the key properties of [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate?
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate has a molecular weight of 420.54 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate is sourced from PubChem (CID 89459688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).