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

C21H19FN4O2S — CID 89459692

IUPAC[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate
SMILESCc1cc(F)ccc1-c1nc(C)c(COC(=O)Nc2ccc3nn(C)cc3c2)s1
InChIInChI=1S/C21H19FN4O2S/c1-12-8-15(22)4-6-17(12)20-23-13(2)19(29-20)11-28-21(27)24-16-5-7-18-14(9-16)10-26(3)25-18/h4-10H,11H2,1-3H3,(H,24,27)
InChIKeyYLTXACIRULYORO-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.20
Rot. Bonds4

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

[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate (PubChem CID 89459692) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate.

Molecular Properties

Compound Name[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate
PubChem CID89459692
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate
SMILESCc1cc(F)ccc1-c1nc(C)c(COC(=O)Nc2ccc3nn(C)cc3c2)s1
InChIInChI=1S/C21H19FN4O2S/c1-12-8-15(22)4-6-17(12)20-23-13(2)19(29-20)11-28-21(27)24-16-5-7-18-14(9-16)10-26(3)25-18/h4-10H,11H2,1-3H3,(H,24,27)
InChIKeyYLTXACIRULYORO-UHFFFAOYSA-N
XLogP5.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.20
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-methylindazol-5-yl)carbamate?
The IUPAC name of [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate (CID 89459692) is [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate.
What is the SMILES notation for [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate?
The canonical SMILES for [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate is Cc1cc(F)ccc1-c1nc(C)c(COC(=O)Nc2ccc3nn(C)cc3c2)s1.
What is the InChIKey of [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate?
The InChIKey is YLTXACIRULYORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-12-8-15(22)4-6-17(12)20-23-13(2)19(29-20)11-28-21(27)24-16-5-7-18-14(9-16)10-26(3)25-18/h4-10H,11H2,1-3H3,(H,24,27).
What are the key properties of [2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate?
[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methylindazol-5-yl)carbamate has a molecular weight of 410.47 g/mol, XLogP of 5.20, 4 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-methylindazol-5-yl)carbamate is sourced from PubChem (CID 89459692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).