5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide

C25H28N4O4S — CID 10390417

IUPAC5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
SMILESC[C@H](Cc1ccc2[nH]c(C(=O)NCc3nccs3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1
InChIInChI=1S/C25H28N4O4S/c1-15(27-12-23(32)17-3-5-22(31)19(10-17)14-30)8-16-2-4-20-18(9-16)11-21(29-20)25(33)28-13-24-26-6-7-34-24/h2-7,9-11,15,23,27,29-32H,8,12-14H2,1H3,(H,28,33)/t15-,23+/m1/s1
InChIKeyOGINPBJQJGLWLK-CMJOXMDJSA-N
MW480.59 g/mol
LogP3.01
Rot. Bonds10

About 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide

5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 10390417) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID10390417
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
SMILESC[C@H](Cc1ccc2[nH]c(C(=O)NCc3nccs3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1
InChIInChI=1S/C25H28N4O4S/c1-15(27-12-23(32)17-3-5-22(31)19(10-17)14-30)8-16-2-4-20-18(9-16)11-21(29-20)25(33)28-13-24-26-6-7-34-24/h2-7,9-11,15,23,27,29-32H,8,12-14H2,1H3,(H,28,33)/t15-,23+/m1/s1
InChIKeyOGINPBJQJGLWLK-CMJOXMDJSA-N
XLogP3.01
TPSA130.50 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 53.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide (CID 10390417) is 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide is C[C@H](Cc1ccc2[nH]c(C(=O)NCc3nccs3)cc2c1)NC[C@H](O)c1ccc(O)c(CO)c1.
What is the InChIKey of 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is OGINPBJQJGLWLK-CMJOXMDJSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-15(27-12-23(32)17-3-5-22(31)19(10-17)14-30)8-16-2-4-20-18(9-16)11-21(29-20)25(33)28-13-24-26-6-7-34-24/h2-7,9-11,15,23,27,29-32H,8,12-14H2,1H3,(H,28,33)/t15-,23+/m1/s1.
What are the key properties of 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide?
5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.01, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 10390417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).