2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C18H19N3O4S — CID 72891753

IUPAC2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc2c(c1)cc(C(=O)NCCc1nc(C)c(C(=O)O)s1)n2C
InChIInChI=1S/C18H19N3O4S/c1-10-16(18(23)24)26-15(20-10)6-7-19-17(22)14-9-11-8-12(25-3)4-5-13(11)21(14)2/h4-5,8-9H,6-7H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyBTGHRGLRXXSUDG-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 72891753) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID72891753
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc2c(c1)cc(C(=O)NCCc1nc(C)c(C(=O)O)s1)n2C
InChIInChI=1S/C18H19N3O4S/c1-10-16(18(23)24)26-15(20-10)6-7-19-17(22)14-9-11-8-12(25-3)4-5-13(11)21(14)2/h4-5,8-9H,6-7H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyBTGHRGLRXXSUDG-UHFFFAOYSA-N
XLogP2.62
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid
CID 72885216
5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide
CID 70778357
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
4-methyl-2-[2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 72857542
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70719444
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
CID 70736168
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980916
N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
CID 3321068
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 72891753) is 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is COc1ccc2c(c1)cc(C(=O)NCCc1nc(C)c(C(=O)O)s1)n2C.
What is the InChIKey of 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is BTGHRGLRXXSUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10-16(18(23)24)26-15(20-10)6-7-19-17(22)14-9-11-8-12(25-3)4-5-13(11)21(14)2/h4-5,8-9H,6-7H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 72891753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).