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

C26H37N5OS — CID 126509577

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C26H37N5OS/c1-4-5-8-21(15-20-16-27-23-10-7-6-9-22(20)23)29-25(32)24-17-28-26(33-24)31-13-11-30(12-14-31)18-19(2)3/h6-7,9-10,16-17,19,21,27H,4-5,8,11-15,18H2,1-3H3,(H,29,32)
InChIKeyTUAWQFINVPMCFT-UHFFFAOYSA-N
MW467.68 g/mol
LogP4.93
Rot. Bonds10

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

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 126509577) has the molecular formula C26H37N5OS and a molecular weight of 467.68 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID126509577
Molecular FormulaC26H37N5OS
Molecular Weight467.68 g/mol
Exact Mass467.27
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CC(C)C)CC2)s1
InChIInChI=1S/C26H37N5OS/c1-4-5-8-21(15-20-16-27-23-10-7-6-9-22(20)23)29-25(32)24-17-28-26(33-24)31-13-11-30(12-14-31)18-19(2)3/h6-7,9-10,16-17,19,21,27H,4-5,8,11-15,18H2,1-3H3,(H,29,32)
InChIKeyTUAWQFINVPMCFT-UHFFFAOYSA-N
XLogP4.93
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 126509577) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)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-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CC(C)C)CC2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is TUAWQFINVPMCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5OS/c1-4-5-8-21(15-20-16-27-23-10-7-6-9-22(20)23)29-25(32)24-17-28-26(33-24)31-13-11-30(12-14-31)18-19(2)3/h6-7,9-10,16-17,19,21,27H,4-5,8,11-15,18H2,1-3H3,(H,29,32).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 467.68 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126509577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).