N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C24H29N7O2S — CID 72948456

IUPACN-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnc(N3CCN(C)CC3)s2)no1
InChIInChI=1S/C24H29N7O2S/c1-3-6-21-28-22(29-33-21)19(13-16-14-25-18-8-5-4-7-17(16)18)27-23(32)20-15-26-24(34-20)31-11-9-30(2)10-12-31/h4-5,7-8,14-15,19,25H,3,6,9-13H2,1-2H3,(H,27,32)
InChIKeyMFMYLXGHSVXPDP-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.43
Rot. Bonds8

About N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 72948456) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID72948456
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC NameN-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnc(N3CCN(C)CC3)s2)no1
InChIInChI=1S/C24H29N7O2S/c1-3-6-21-28-22(29-33-21)19(13-16-14-25-18-8-5-4-7-17(16)18)27-23(32)20-15-26-24(34-20)31-11-9-30(2)10-12-31/h4-5,7-8,14-15,19,25H,3,6,9-13H2,1-2H3,(H,27,32)
InChIKeyMFMYLXGHSVXPDP-UHFFFAOYSA-N
XLogP3.43
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 72948456) is N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CCCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cnc(N3CCN(C)CC3)s2)no1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MFMYLXGHSVXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-3-6-21-28-22(29-33-21)19(13-16-14-25-18-8-5-4-7-17(16)18)27-23(32)20-15-26-24(34-20)31-11-9-30(2)10-12-31/h4-5,7-8,14-15,19,25H,3,6,9-13H2,1-2H3,(H,27,32).
What are the key properties of N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-1-(5-propyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72948456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).