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

C25H35N5OS — CID 118279419

IUPACN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(CCN2CCN(C)CC2)s1
InChIInChI=1S/C25H35N5OS/c1-3-4-7-20(16-19-17-26-22-9-6-5-8-21(19)22)28-25(31)23-18-27-24(32-23)10-11-30-14-12-29(2)13-15-30/h5-6,8-9,17-18,20,26H,3-4,7,10-16H2,1-2H3,(H,28,31)
InChIKeyPRAKENCCGPYIDU-UHFFFAOYSA-N
MW453.66 g/mol
LogP3.95
Rot. Bonds10

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

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 118279419) 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-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID118279419
Molecular FormulaC25H35N5OS
Molecular Weight453.66 g/mol
Exact Mass453.26
IUPAC NameN-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(CCN2CCN(C)CC2)s1
InChIInChI=1S/C25H35N5OS/c1-3-4-7-20(16-19-17-26-22-9-6-5-8-21(19)22)28-25(31)23-18-27-24(32-23)10-11-30-14-12-29(2)13-15-30/h5-6,8-9,17-18,20,26H,3-4,7,10-16H2,1-2H3,(H,28,31)
InChIKeyPRAKENCCGPYIDU-UHFFFAOYSA-N
XLogP3.95
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.66
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Minzasolmin
CID 118279413
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-thiazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507810
acs.jmedchem.1c00409_ST.211
CID 72708469
(6S,8aS)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 44338513
(6S,8aS)-2-[(2R)-2-amino-3-(1H-indol-2-yl)propanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 44453680
[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 60148496
1-(4-benzoylpiperazin-1-yl)-2-[7-(5-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517534
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(5-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517875
Ac-Trp-Arg-Leu-Arg-thiazol-2-yl
CID 118721650
Ac-Trp-Lys-Leu-Arg-thiazol-2-yl
CID 118721653
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methyl-1,3-thiazol-2-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 168268899
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 118279419) is N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccccc12)NC(=O)c1cnc(CCN2CCN(C)CC2)s1.
What is the InChIKey of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PRAKENCCGPYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5OS/c1-3-4-7-20(16-19-17-26-22-9-6-5-8-21(19)22)28-25(31)23-18-27-24(32-23)10-11-30-14-12-29(2)13-15-30/h5-6,8-9,17-18,20,26H,3-4,7,10-16H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 453.66 g/mol, XLogP of 3.95, 10 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-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118279419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).