N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

C22H21N3O4S — CID 19028022

IUPACN-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c(-c2nc(NC(=O)c3cc4ccccc4[nH]3)sc2C)cc1OC
InChIInChI=1S/C22H21N3O4S/c1-12-20(14-10-18(28-3)19(29-4)11-17(14)27-2)24-22(30-12)25-21(26)16-9-13-7-5-6-8-15(13)23-16/h5-11,23H,1-4H3,(H,24,25,26)
InChIKeyGGDICPQLVRUXSZ-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.88
Rot. Bonds6

About N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (PubChem CID 19028022) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
PubChem CID19028022
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c(-c2nc(NC(=O)c3cc4ccccc4[nH]3)sc2C)cc1OC
InChIInChI=1S/C22H21N3O4S/c1-12-20(14-10-18(28-3)19(29-4)11-17(14)27-2)24-22(30-12)25-21(26)16-9-13-7-5-6-8-15(13)23-16/h5-11,23H,1-4H3,(H,24,25,26)
InChIKeyGGDICPQLVRUXSZ-UHFFFAOYSA-N
XLogP4.88
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (CID 19028022) is N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is COc1cc(OC)c(-c2nc(NC(=O)c3cc4ccccc4[nH]3)sc2C)cc1OC.
What is the InChIKey of N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The InChIKey is GGDICPQLVRUXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-12-20(14-10-18(28-3)19(29-4)11-17(14)27-2)24-22(30-12)25-21(26)16-9-13-7-5-6-8-15(13)23-16/h5-11,23H,1-4H3,(H,24,25,26).
What are the key properties of N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 19028022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).