N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide

C25H35N5O2S — CID 126509788

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCOC)CC2)s1
InChIInChI=1S/C25H35N5O2S/c1-3-4-7-20(16-19-17-26-22-9-6-5-8-21(19)22)28-24(31)23-18-27-25(33-23)30-12-10-29(11-13-30)14-15-32-2/h5-6,8-9,17-18,20,26H,3-4,7,10-16H2,1-2H3,(H,28,31)
InChIKeySHULKHNFRMOYMY-UHFFFAOYSA-N
MW469.66 g/mol
LogP3.92
Rot. Bonds11

About N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 126509788) has the molecular formula C25H35N5O2S and a molecular weight of 469.66 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID126509788
Molecular FormulaC25H35N5O2S
Molecular Weight469.66 g/mol
Exact Mass469.25
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCOC)CC2)s1
InChIInChI=1S/C25H35N5O2S/c1-3-4-7-20(16-19-17-26-22-9-6-5-8-21(19)22)28-24(31)23-18-27-25(33-23)30-12-10-29(11-13-30)14-15-32-2/h5-6,8-9,17-18,20,26H,3-4,7,10-16H2,1-2H3,(H,28,31)
InChIKeySHULKHNFRMOYMY-UHFFFAOYSA-N
XLogP3.92
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-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 N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 126509788) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCOC)CC2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is SHULKHNFRMOYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2S/c1-3-4-7-20(16-19-17-26-22-9-6-5-8-21(19)22)28-24(31)23-18-27-25(33-23)30-12-10-29(11-13-30)14-15-32-2/h5-6,8-9,17-18,20,26H,3-4,7,10-16H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 469.66 g/mol, XLogP of 3.92, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126509788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).