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

C25H35N5OS — CID 126509257

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C(C)C)CC2)s1
InChIInChI=1S/C25H35N5OS/c1-4-5-8-20(15-19-16-26-22-10-7-6-9-21(19)22)28-24(31)23-17-27-25(32-23)30-13-11-29(12-14-30)18(2)3/h6-7,9-10,16-18,20,26H,4-5,8,11-15H2,1-3H3,(H,28,31)
InChIKeyMNWQUOWIRSNRQL-UHFFFAOYSA-N
MW453.66 g/mol
LogP4.69
Rot. Bonds9

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

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 126509257) has the molecular formula C25H35N5OS and a molecular weight of 453.66 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID126509257
Molecular FormulaC25H35N5OS
Molecular Weight453.66 g/mol
Exact Mass453.26
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C(C)C)CC2)s1
InChIInChI=1S/C25H35N5OS/c1-4-5-8-20(15-19-16-26-22-10-7-6-9-21(19)22)28-24(31)23-17-27-25(32-23)30-13-11-29(12-14-30)18(2)3/h6-7,9-10,16-18,20,26H,4-5,8,11-15H2,1-3H3,(H,28,31)
InChIKeyMNWQUOWIRSNRQL-UHFFFAOYSA-N
XLogP4.69
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 54.69
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-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 126509257) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-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-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C(C)C)CC2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MNWQUOWIRSNRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5OS/c1-4-5-8-20(15-19-16-26-22-10-7-6-9-21(19)22)28-24(31)23-17-27-25(32-23)30-13-11-29(12-14-30)18(2)3/h6-7,9-10,16-18,20,26H,4-5,8,11-15H2,1-3H3,(H,28,31).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 453.66 g/mol, XLogP of 4.69, 9 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-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126509257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).