N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C20H24N4OS — CID 74238492

IUPACN-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCN(CCn1ccc2ccccc21)C(=O)c1cnc(CN2CCCC2)s1
InChIInChI=1S/C20H24N4OS/c1-22(12-13-24-11-8-16-6-2-3-7-17(16)24)20(25)18-14-21-19(26-18)15-23-9-4-5-10-23/h2-3,6-8,11,14H,4-5,9-10,12-13,15H2,1H3
InChIKeyZUUUOQGAELZYOZ-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.47
Rot. Bonds6

About N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 74238492) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID74238492
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCN(CCn1ccc2ccccc21)C(=O)c1cnc(CN2CCCC2)s1
InChIInChI=1S/C20H24N4OS/c1-22(12-13-24-11-8-16-6-2-3-7-17(16)24)20(25)18-14-21-19(26-18)15-23-9-4-5-10-23/h2-3,6-8,11,14H,4-5,9-10,12-13,15H2,1H3
InChIKeyZUUUOQGAELZYOZ-UHFFFAOYSA-N
XLogP3.47
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 74238492) is N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is CN(CCn1ccc2ccccc21)C(=O)c1cnc(CN2CCCC2)s1.
What is the InChIKey of N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZUUUOQGAELZYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-22(12-13-24-11-8-16-6-2-3-7-17(16)24)20(25)18-14-21-19(26-18)15-23-9-4-5-10-23/h2-3,6-8,11,14H,4-5,9-10,12-13,15H2,1H3.
What are the key properties of N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-N-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 74238492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).