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

C24H30F3N5OS — CID 126510051

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)s1
InChIInChI=1S/C24H30F3N5OS/c1-3-4-7-17(12-16-13-28-19-9-6-5-8-18(16)19)30-22(33)20-14-29-23(34-20)32-11-10-31(2)21(15-32)24(25,26)27/h5-6,8-9,13-14,17,21,28H,3-4,7,10-12,15H2,1-2H3,(H,30,33)
InChIKeyOTPDPFPXQPIMQU-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.84
Rot. Bonds8

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

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 126510051) has the molecular formula C24H30F3N5OS and a molecular weight of 493.60 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID126510051
Molecular FormulaC24H30F3N5OS
Molecular Weight493.60 g/mol
Exact Mass493.21
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)s1
InChIInChI=1S/C24H30F3N5OS/c1-3-4-7-17(12-16-13-28-19-9-6-5-8-18(16)19)30-22(33)20-14-29-23(34-20)32-11-10-31(2)21(15-32)24(25,26)27/h5-6,8-9,13-14,17,21,28H,3-4,7,10-12,15H2,1-2H3,(H,30,33)
InChIKeyOTPDPFPXQPIMQU-UHFFFAOYSA-N
XLogP4.84
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.84
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-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide (CID 126510051) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)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-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)C(C(F)(F)F)C2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is OTPDPFPXQPIMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5OS/c1-3-4-7-17(12-16-13-28-19-9-6-5-8-18(16)19)30-22(33)20-14-29-23(34-20)32-11-10-31(2)21(15-32)24(25,26)27/h5-6,8-9,13-14,17,21,28H,3-4,7,10-12,15H2,1-2H3,(H,30,33).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 4.84, 8 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-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126510051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).