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

C24H32FN5OS — CID 126510032

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCF)CC2)s1
InChIInChI=1S/C24H32FN5OS/c1-2-3-6-19(15-18-16-26-21-8-5-4-7-20(18)21)28-23(31)22-17-27-24(32-22)30-13-11-29(10-9-25)12-14-30/h4-5,7-8,16-17,19,26H,2-3,6,9-15H2,1H3,(H,28,31)
InChIKeyBWMPUWWDUKVWOS-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.25
Rot. Bonds10

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

2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 126510032) has the molecular formula C24H32FN5OS and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID126510032
Molecular FormulaC24H32FN5OS
Molecular Weight457.62 g/mol
Exact Mass457.23
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCF)CC2)s1
InChIInChI=1S/C24H32FN5OS/c1-2-3-6-19(15-18-16-26-21-8-5-4-7-20(18)21)28-23(31)22-17-27-24(32-22)30-13-11-29(10-9-25)12-14-30/h4-5,7-8,16-17,19,26H,2-3,6,9-15H2,1H3,(H,28,31)
InChIKeyBWMPUWWDUKVWOS-UHFFFAOYSA-N
XLogP4.25
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide (CID 126510032) is 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(CCF)CC2)s1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is BWMPUWWDUKVWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5OS/c1-2-3-6-19(15-18-16-26-21-8-5-4-7-20(18)21)28-23(31)22-17-27-24(32-22)30-13-11-29(10-9-25)12-14-30/h4-5,7-8,16-17,19,26H,2-3,6,9-15H2,1H3,(H,28,31).
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide?
2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[1-(1H-indol-3-yl)hexan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126510032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).