(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C18H24N4OS — CID 97208174

IUPAC(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@H](C(=O)NCCCc1csc(N)n1)N1CCc2ccccc2C1
InChIInChI=1S/C18H24N4OS/c1-13(22-10-8-14-5-2-3-6-15(14)11-22)17(23)20-9-4-7-16-12-24-18(19)21-16/h2-3,5-6,12-13H,4,7-11H2,1H3,(H2,19,21)(H,20,23)/t13-/m1/s1
InChIKeyNXRVFOWRVOKHPM-CYBMUJFWSA-N
MW344.48 g/mol
LogP2.22
Rot. Bonds6

About (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 97208174) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID97208174
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@H](C(=O)NCCCc1csc(N)n1)N1CCc2ccccc2C1
InChIInChI=1S/C18H24N4OS/c1-13(22-10-8-14-5-2-3-6-15(14)11-22)17(23)20-9-4-7-16-12-24-18(19)21-16/h2-3,5-6,12-13H,4,7-11H2,1H3,(H2,19,21)(H,20,23)/t13-/m1/s1
InChIKeyNXRVFOWRVOKHPM-CYBMUJFWSA-N
XLogP2.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 119628097
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119431742
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17447413
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72861699
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 121499949
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461265
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
3-(2-amino-1,3-thiazol-4-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 162626101
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446966
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32753435

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 97208174) is (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is C[C@H](C(=O)NCCCc1csc(N)n1)N1CCc2ccccc2C1.
What is the InChIKey of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is NXRVFOWRVOKHPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(22-10-8-14-5-2-3-6-15(14)11-22)17(23)20-9-4-7-16-12-24-18(19)21-16/h2-3,5-6,12-13H,4,7-11H2,1H3,(H2,19,21)(H,20,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 344.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 97208174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).