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

C21H27N5OS — CID 118279425

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN1CCN(CCc2ncc(C(=O)NCCc3c[nH]c4ccccc34)s2)CC1
InChIInChI=1S/C21H27N5OS/c1-25-10-12-26(13-11-25)9-7-20-24-15-19(28-20)21(27)22-8-6-16-14-23-18-5-3-2-4-17(16)18/h2-5,14-15,23H,6-13H2,1H3,(H,22,27)
InChIKeyYULQAYQMPLAAAZ-UHFFFAOYSA-N
MW397.55 g/mol
LogP2.39
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 118279425) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID118279425
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCN1CCN(CCc2ncc(C(=O)NCCc3c[nH]c4ccccc34)s2)CC1
InChIInChI=1S/C21H27N5OS/c1-25-10-12-26(13-11-25)9-7-20-24-15-19(28-20)21(27)22-8-6-16-14-23-18-5-3-2-4-17(16)18/h2-5,14-15,23H,6-13H2,1H3,(H,22,27)
InChIKeyYULQAYQMPLAAAZ-UHFFFAOYSA-N
XLogP2.39
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110853376
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 74230811
N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
4-[2-(1H-indol-3-yl)ethyl]-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105313
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
CID 21187563
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887
4-amino-N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117378

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 118279425) is N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide is CN1CCN(CCc2ncc(C(=O)NCCc3c[nH]c4ccccc34)s2)CC1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YULQAYQMPLAAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-25-10-12-26(13-11-25)9-7-20-24-15-19(28-20)21(27)22-8-6-16-14-23-18-5-3-2-4-17(16)18/h2-5,14-15,23H,6-13H2,1H3,(H,22,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.55 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118279425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).