N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C21H19N3OS — CID 24512611

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C21H19N3OS/c1-14-6-8-15(9-7-14)21-24-19(13-26-21)20(25)22-11-10-16-12-23-18-5-3-2-4-17(16)18/h2-9,12-13,23H,10-11H2,1H3,(H,22,25)
InChIKeyVARBKIUGEFWWMJ-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.57
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24512611) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24512611
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)cc1
InChIInChI=1S/C21H19N3OS/c1-14-6-8-15(9-7-14)21-24-19(13-26-21)20(25)22-11-10-16-12-23-18-5-3-2-4-17(16)18/h2-9,12-13,23H,10-11H2,1H3,(H,22,25)
InChIKeyVARBKIUGEFWWMJ-UHFFFAOYSA-N
XLogP4.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 24512611) is N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCCc3c[nH]c4ccccc34)cs2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VARBKIUGEFWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-14-6-8-15(9-7-14)21-24-19(13-26-21)20(25)22-11-10-16-12-23-18-5-3-2-4-17(16)18/h2-9,12-13,23H,10-11H2,1H3,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24512611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).