1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine

C15H15N3S — CID 63949685

IUPAC1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCNCc1sc(-c2nccc3ccccc23)nc1C
InChIInChI=1S/C15H15N3S/c1-10-13(9-16-2)19-15(18-10)14-12-6-4-3-5-11(12)7-8-17-14/h3-8,16H,9H2,1-2H3
InChIKeyLYCRLGHNUAJUKC-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine

1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine (PubChem CID 63949685) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine
PubChem CID63949685
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine
SMILESCNCc1sc(-c2nccc3ccccc23)nc1C
InChIInChI=1S/C15H15N3S/c1-10-13(9-16-2)19-15(18-10)14-12-6-4-3-5-11(12)7-8-17-14/h3-8,16H,9H2,1-2H3
InChIKeyLYCRLGHNUAJUKC-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-isoquinolin-1-yl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 114361405
2-isoquinolin-1-yl-5-methyl-1,3-thiazol-4-amine
CID 83107327
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
methyl 2-isoquinolin-1-yl-5-methyl-1,3-thiazole-4-carboxylate
CID 115422844
2-isoquinolin-1-yl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306488
1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193731
N-[[4-methyl-2-(3-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402696
5-acetyl-2-isoquinolin-1-yl-1,3-thiazole-4-carboxylic acid
CID 106696372
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116868195
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 116868204
1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362305
1-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362442

Frequently Asked Questions

What is the IUPAC name of 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine (CID 63949685) is 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine is CNCc1sc(-c2nccc3ccccc23)nc1C.
What is the InChIKey of 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine?
The InChIKey is LYCRLGHNUAJUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-13(9-16-2)19-15(18-10)14-12-6-4-3-5-11(12)7-8-17-14/h3-8,16H,9H2,1-2H3.
What are the key properties of 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine?
1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 63949685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).