5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid

C24H24N4O5S — CID 22612595

IUPAC5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid
SMILESCCN(C(=O)c1cc2cc(N)ccc2n1C(=O)O)c1nc(-c2cc(OC)c(C)cc2OC)cs1
InChIInChI=1S/C24H24N4O5S/c1-5-27(22(29)19-10-14-9-15(25)6-7-18(14)28(19)24(30)31)23-26-17(12-34-23)16-11-20(32-3)13(2)8-21(16)33-4/h6-12H,5,25H2,1-4H3,(H,30,31)
InChIKeyCSDQSGBAQOYXCH-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.87
Rot. Bonds6

About 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid

5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid (PubChem CID 22612595) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid
PubChem CID22612595
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid
SMILESCCN(C(=O)c1cc2cc(N)ccc2n1C(=O)O)c1nc(-c2cc(OC)c(C)cc2OC)cs1
InChIInChI=1S/C24H24N4O5S/c1-5-27(22(29)19-10-14-9-15(25)6-7-18(14)28(19)24(30)31)23-26-17(12-34-23)16-11-20(32-3)13(2)8-21(16)33-4/h6-12H,5,25H2,1-4H3,(H,30,31)
InChIKeyCSDQSGBAQOYXCH-UHFFFAOYSA-N
XLogP4.87
TPSA119.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethyl-4-fluorobenzamide
CID 1138516
potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate
CID 23684414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylcyclopropanecarboxamide
CID 861950
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129096
3-(2,5-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411973
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
CID 22433390
4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 861947
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
[5-amino-2-(trifluoromethyl)indol-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 112534167
1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
CID 82306859

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid?
The IUPAC name of 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid (CID 22612595) is 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid.
What is the SMILES notation for 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid?
The canonical SMILES for 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid is CCN(C(=O)c1cc2cc(N)ccc2n1C(=O)O)c1nc(-c2cc(OC)c(C)cc2OC)cs1.
What is the InChIKey of 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid?
The InChIKey is CSDQSGBAQOYXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-5-27(22(29)19-10-14-9-15(25)6-7-18(14)28(19)24(30)31)23-26-17(12-34-23)16-11-20(32-3)13(2)8-21(16)33-4/h6-12H,5,25H2,1-4H3,(H,30,31).
What are the key properties of 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid?
5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid has a molecular weight of 480.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[4-(2,5-dimethoxy-4-methylphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]indole-1-carboxylic acid is sourced from PubChem (CID 22612595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).