[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone

C20H23N5OS — CID 138056691

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone
SMILESCC1CN(c2cccc3cnccc23)CCN1C(=O)c1csc(CCN)n1
InChIInChI=1S/C20H23N5OS/c1-14-12-24(18-4-2-3-15-11-22-8-6-16(15)18)9-10-25(14)20(26)17-13-27-19(23-17)5-7-21/h2-4,6,8,11,13-14H,5,7,9-10,12,21H2,1H3
InChIKeySJNOSZCYSXHDFV-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.54
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone (PubChem CID 138056691) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone
PubChem CID138056691
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone
SMILESCC1CN(c2cccc3cnccc23)CCN1C(=O)c1csc(CCN)n1
InChIInChI=1S/C20H23N5OS/c1-14-12-24(18-4-2-3-15-11-22-8-6-16(15)18)9-10-25(14)20(26)17-13-27-19(23-17)5-7-21/h2-4,6,8,11,13-14H,5,7,9-10,12,21H2,1H3
InChIKeySJNOSZCYSXHDFV-UHFFFAOYSA-N
XLogP2.54
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone
CID 120647327
3-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-6-(trifluoromethyl)piperidin-2-one
CID 154839340
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 120639509
4-(4-isoquinolin-5-yl-2-methylpiperazine-1-carbonyl)-1,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 166234129
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 124515126
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203835
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2,6-dimethylazepan-1-yl)methanone;hydrochloride
CID 120634134
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120631607
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 120627587
5-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 94873112

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone (CID 138056691) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone is CC1CN(c2cccc3cnccc23)CCN1C(=O)c1csc(CCN)n1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone?
The InChIKey is SJNOSZCYSXHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-12-24(18-4-2-3-15-11-22-8-6-16(15)18)9-10-25(14)20(26)17-13-27-19(23-17)5-7-21/h2-4,6,8,11,13-14H,5,7,9-10,12,21H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone has a molecular weight of 381.51 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-isoquinolin-5-yl-2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 138056691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).