5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine

C16H21N3OS — CID 120905071

IUPAC5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)CC(C)N(Cc1cnc(N)s1)C2C
InChIInChI=1S/C16H21N3OS/c1-10-6-12-7-13(20-3)4-5-15(12)11(2)19(10)9-14-8-18-16(17)21-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,17,18)
InChIKeyJZEKBWKCERASBV-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.24
Rot. Bonds3

About 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine

5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120905071) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120905071
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc2c(c1)CC(C)N(Cc1cnc(N)s1)C2C
InChIInChI=1S/C16H21N3OS/c1-10-6-12-7-13(20-3)4-5-15(12)11(2)19(10)9-14-8-18-16(17)21-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,17,18)
InChIKeyJZEKBWKCERASBV-UHFFFAOYSA-N
XLogP3.24
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine (CID 120905071) is 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine is COc1ccc2c(c1)CC(C)N(Cc1cnc(N)s1)C2C.
What is the InChIKey of 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JZEKBWKCERASBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-6-12-7-13(20-3)4-5-15(12)11(2)19(10)9-14-8-18-16(17)21-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,17,18).
What are the key properties of 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine?
5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).