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

C23H31N5OS — CID 118279413

IUPACN-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C23H31N5OS/c1-3-4-7-18(14-17-15-24-20-9-6-5-8-19(17)20)26-22(29)21-16-25-23(30-21)28-12-10-27(2)11-13-28/h5-6,8-9,15-16,18,24H,3-4,7,10-14H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyGDFWCSZNQVAQGR-GOSISDBHSA-N
MW425.60 g/mol
LogP3.91
Rot. Bonds8

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

N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 118279413) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID118279413
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC NameN-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESCCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C23H31N5OS/c1-3-4-7-18(14-17-15-24-20-9-6-5-8-19(17)20)26-22(29)21-16-25-23(30-21)28-12-10-27(2)11-13-28/h5-6,8-9,15-16,18,24H,3-4,7,10-14H2,1-2H3,(H,26,29)/t18-/m1/s1
InChIKeyGDFWCSZNQVAQGR-GOSISDBHSA-N
XLogP3.91
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-thiazol-2-yl-1H-indole-7-carboxamide
CID 507919
indole-based 6-membered lactam, (R)-4b
CID 15604766
2-(pyridin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911293
N-(2,6-dimethylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 21911586
Indole-based 6-membered lactam, 3b
CID 44143545
Indole-based 6-membered lactam, 3e
CID 44143547
Indole-based 6-membered lactam, 4f
CID 44143552
indole-based 6-membered lactam, (S)-4b
CID 15604765
[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 60148495
[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
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(4-methylthiazol-2-yl)-1H-indole-7-carboxamide
CID 71597197
2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2114820

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 118279413) is N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)s1.
What is the InChIKey of N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GDFWCSZNQVAQGR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-3-4-7-18(14-17-15-24-20-9-6-5-8-19(17)20)26-22(29)21-16-25-23(30-21)28-12-10-27(2)11-13-28/h5-6,8-9,15-16,18,24H,3-4,7,10-14H2,1-2H3,(H,26,29)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 425.60 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1H-indol-3-yl)hexan-2-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118279413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).