1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C15H15N3S — CID 112702922

IUPAC1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2cncc3ccccc23)cs1
InChIInChI=1S/C15H15N3S/c1-11-18-14(10-19-11)9-17-8-13-7-16-6-12-4-2-3-5-15(12)13/h2-7,10,17H,8-9H2,1H3
InChIKeySQCGWZOAHLYLIK-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.29
Rot. Bonds4

About 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 112702922) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID112702922
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCc2cncc3ccccc23)cs1
InChIInChI=1S/C15H15N3S/c1-11-18-14(10-19-11)9-17-8-13-7-16-6-12-4-2-3-5-15(12)13/h2-7,10,17H,8-9H2,1H3
InChIKeySQCGWZOAHLYLIK-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
CID 63850720
1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 103823450
1-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112730045
N-[(3-bromothiophen-2-yl)methyl]-1-isoquinolin-4-ylmethanamine
CID 115748401
1-(2-methyl-1,3-thiazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanamine
CID 63315350
2-methyl-6-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 112554021
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 60960559
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60961374
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 112702922) is 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCc2cncc3ccccc23)cs1.
What is the InChIKey of 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is SQCGWZOAHLYLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-18-14(10-19-11)9-17-8-13-7-16-6-12-4-2-3-5-15(12)13/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 112702922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).