3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C22H23N3O2S — CID 55958332

IUPAC3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1ccc(Cc2sc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)nc2C)cc1
InChIInChI=1S/C22H23N3O2S/c1-12-7-9-15(10-8-12)11-18-14(3)23-22(28-18)25-21(27)20-13(2)19-16(24-20)5-4-6-17(19)26/h7-10,24H,4-6,11H2,1-3H3,(H,23,25,27)
InChIKeyINOICNZJQGHGNE-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.76
Rot. Bonds4

About 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 55958332) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID55958332
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1ccc(Cc2sc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)nc2C)cc1
InChIInChI=1S/C22H23N3O2S/c1-12-7-9-15(10-8-12)11-18-14(3)23-22(28-18)25-21(27)20-13(2)19-16(24-20)5-4-6-17(19)26/h7-10,24H,4-6,11H2,1-3H3,(H,23,25,27)
InChIKeyINOICNZJQGHGNE-UHFFFAOYSA-N
XLogP4.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 55958332) is 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1ccc(Cc2sc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)nc2C)cc1.
What is the InChIKey of 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is INOICNZJQGHGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-12-7-9-15(10-8-12)11-18-14(3)23-22(28-18)25-21(27)20-13(2)19-16(24-20)5-4-6-17(19)26/h7-10,24H,4-6,11H2,1-3H3,(H,23,25,27).
What are the key properties of 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 55958332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).