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

C27H32N6OS — CID 135279724

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(c3cccnc3)CC2)s1
InChIInChI=1S/C27H32N6OS/c1-2-3-7-21(16-20-17-29-24-10-5-4-9-23(20)24)31-26(34)25-19-30-27(35-25)33-14-12-32(13-15-33)22-8-6-11-28-18-22/h4-6,8-11,17-19,21,29H,2-3,7,12-16H2,1H3,(H,31,34)
InChIKeyREDCSNCNBOZBSK-UHFFFAOYSA-N
MW488.66 g/mol
LogP4.88
Rot. Bonds9

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

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 135279724) has the molecular formula C27H32N6OS and a molecular weight of 488.66 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID135279724
Molecular FormulaC27H32N6OS
Molecular Weight488.66 g/mol
Exact Mass488.24
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(c3cccnc3)CC2)s1
InChIInChI=1S/C27H32N6OS/c1-2-3-7-21(16-20-17-29-24-10-5-4-9-23(20)24)31-26(34)25-19-30-27(35-25)33-14-12-32(13-15-33)22-8-6-11-28-18-22/h4-6,8-11,17-19,21,29H,2-3,7,12-16H2,1H3,(H,31,34)
InChIKeyREDCSNCNBOZBSK-UHFFFAOYSA-N
XLogP4.88
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.66
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 135279724) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(c3cccnc3)CC2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is REDCSNCNBOZBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6OS/c1-2-3-7-21(16-20-17-29-24-10-5-4-9-23(20)24)31-26(34)25-19-30-27(35-25)33-14-12-32(13-15-33)22-8-6-11-28-18-22/h4-6,8-11,17-19,21,29H,2-3,7,12-16H2,1H3,(H,31,34).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 488.66 g/mol, XLogP of 4.88, 9 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-pyridin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135279724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).