N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C19H23N5OS — CID 118286091

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NCCc3c[nH]c4ccccc34)s2)CC1
InChIInChI=1S/C19H23N5OS/c1-23-8-10-24(11-9-23)19-22-13-17(26-19)18(25)20-7-6-14-12-21-16-5-3-2-4-15(14)16/h2-5,12-13,21H,6-11H2,1H3,(H,20,25)
InChIKeyCVPVFXOHGCRRAW-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 118286091) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID118286091
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)NCCc3c[nH]c4ccccc34)s2)CC1
InChIInChI=1S/C19H23N5OS/c1-23-8-10-24(11-9-23)19-22-13-17(26-19)18(25)20-7-6-14-12-21-16-5-3-2-4-15(14)16/h2-5,12-13,21H,6-11H2,1H3,(H,20,25)
InChIKeyCVPVFXOHGCRRAW-UHFFFAOYSA-N
XLogP2.35
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 118286091) is N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CN1CCN(c2ncc(C(=O)NCCc3c[nH]c4ccccc34)s2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is CVPVFXOHGCRRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-23-8-10-24(11-9-23)19-22-13-17(26-19)18(25)20-7-6-14-12-21-16-5-3-2-4-15(14)16/h2-5,12-13,21H,6-11H2,1H3,(H,20,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118286091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).