N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C18H23N3OS — CID 86926725

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(C)N2CCc3ccccc3C2)s1
InChIInChI=1S/C18H23N3OS/c1-12(10-19-18(22)17-13(2)20-14(3)23-17)21-9-8-15-6-4-5-7-16(15)11-21/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChIKeyRTXHWKNQXCSBRK-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 86926725) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID86926725
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(C)N2CCc3ccccc3C2)s1
InChIInChI=1S/C18H23N3OS/c1-12(10-19-18(22)17-13(2)20-14(3)23-17)21-9-8-15-6-4-5-7-16(15)11-21/h4-7,12H,8-11H2,1-3H3,(H,19,22)
InChIKeyRTXHWKNQXCSBRK-UHFFFAOYSA-N
XLogP2.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide
CID 32929129
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 51727801
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 32924591
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 32919875
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866195
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methoxymethyl)benzamide
CID 36886538
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 32923763
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 86926725) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(C)N2CCc3ccccc3C2)s1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is RTXHWKNQXCSBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12(10-19-18(22)17-13(2)20-14(3)23-17)21-9-8-15-6-4-5-7-16(15)11-21/h4-7,12H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86926725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).