N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine

C15H15N3S — CID 63850720

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
SMILESCc1nc(CNCc2ccnc3ccccc23)cs1
InChIInChI=1S/C15H15N3S/c1-11-18-13(10-19-11)9-16-8-12-6-7-17-15-5-3-2-4-14(12)15/h2-7,10,16H,8-9H2,1H3
InChIKeyNBARZOGGMLQEQE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.29
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine (PubChem CID 63850720) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
PubChem CID63850720
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine
SMILESCc1nc(CNCc2ccnc3ccccc23)cs1
InChIInChI=1S/C15H15N3S/c1-11-18-13(10-19-11)9-16-8-12-6-7-17-15-5-3-2-4-14(12)15/h2-7,10,16H,8-9H2,1H3
InChIKeyNBARZOGGMLQEQE-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-(4-methoxynaphthalen-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112730045
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112702922
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60961374
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
N-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-(quinolin-4-ylmethylamino)benzamide
CID 58989956
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 28781462
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine
CID 102673074
1-[4-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 107232919
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-(4-pyridin-2-ylphenyl)methanamine
CID 131899021

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine (CID 63850720) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine is Cc1nc(CNCc2ccnc3ccccc23)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine?
The InChIKey is NBARZOGGMLQEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-18-13(10-19-11)9-16-8-12-6-7-17-15-5-3-2-4-14(12)15/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine 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 N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-quinolin-4-ylmethanamine is sourced from PubChem (CID 63850720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).