2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid

C15H11N3O4S — CID 156515665

IUPAC2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C15H11N3O4S/c19-12(20)6-17-14(22)11-7-23-15(18-11)13(21)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H,17,22)(H,19,20)
InChIKeyNOWXFRWOUWNHLB-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.67
Rot. Bonds5

About 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid

2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid (PubChem CID 156515665) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
PubChem CID156515665
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C15H11N3O4S/c19-12(20)6-17-14(22)11-7-23-15(18-11)13(21)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H,17,22)(H,19,20)
InChIKeyNOWXFRWOUWNHLB-UHFFFAOYSA-N
XLogP1.67
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid (CID 156515665) is 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1csc(C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The InChIKey is NOWXFRWOUWNHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-12(20)6-17-14(22)11-7-23-15(18-11)13(21)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H,17,22)(H,19,20).
What are the key properties of 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid has a molecular weight of 329.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 156515665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).