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

C22H21FN4O2S — CID 89469562

IUPAC(2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2C)sc1NC(=O)OCc1ccc2nn(C)cc2c1
InChIInChI=1S/C22H21FN4O2S/c1-4-18-21(30-20(24-18)17-7-6-16(23)9-13(17)2)25-22(28)29-12-14-5-8-19-15(10-14)11-27(3)26-19/h5-11H,4,12H2,1-3H3,(H,25,28)
InChIKeyNCQYUXDXDVETII-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.46
Rot. Bonds5

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

(2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate (PubChem CID 89469562) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is (2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
PubChem CID89469562
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name(2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2C)sc1NC(=O)OCc1ccc2nn(C)cc2c1
InChIInChI=1S/C22H21FN4O2S/c1-4-18-21(30-20(24-18)17-7-6-16(23)9-13(17)2)25-22(28)29-12-14-5-8-19-15(10-14)11-27(3)26-19/h5-11H,4,12H2,1-3H3,(H,25,28)
InChIKeyNCQYUXDXDVETII-UHFFFAOYSA-N
XLogP5.46
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 ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate (CID 89469562) is (2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (2-methylindazol-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(C)cc2c1.
What is the InChIKey of (2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
The InChIKey is NCQYUXDXDVETII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-4-18-21(30-20(24-18)17-7-6-16(23)9-13(17)2)25-22(28)29-12-14-5-8-19-15(10-14)11-27(3)26-19/h5-11H,4,12H2,1-3H3,(H,25,28).
What are the key properties of (2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate?
(2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate has a molecular weight of 424.50 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).