quinolin-6-yl(1,3-thiazol-2-yl)methanamine

C13H11N3S — CID 63970380

IUPACquinolin-6-yl(1,3-thiazol-2-yl)methanamine
SMILESNC(c1ccc2ncccc2c1)c1nccs1
InChIInChI=1S/C13H11N3S/c14-12(13-16-6-7-17-13)10-3-4-11-9(8-10)2-1-5-15-11/h1-8,12H,14H2
InChIKeyGQJXSQWMKGCNIG-UHFFFAOYSA-N
MW241.32 g/mol
LogP2.74
Rot. Bonds2

About quinolin-6-yl(1,3-thiazol-2-yl)methanamine

quinolin-6-yl(1,3-thiazol-2-yl)methanamine (PubChem CID 63970380) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is quinolin-6-yl(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Namequinolin-6-yl(1,3-thiazol-2-yl)methanamine
PubChem CID63970380
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Namequinolin-6-yl(1,3-thiazol-2-yl)methanamine
SMILESNC(c1ccc2ncccc2c1)c1nccs1
InChIInChI=1S/C13H11N3S/c14-12(13-16-6-7-17-13)10-3-4-11-9(8-10)2-1-5-15-11/h1-8,12H,14H2
InChIKeyGQJXSQWMKGCNIG-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxythiophen-2-yl)-quinolin-6-ylmethanamine
CID 105020989
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
(4-bromo-2,6-difluorophenyl)-quinolin-6-ylmethanamine
CID 105021117
1-benzothiophen-2-yl(quinolin-6-yl)methanamine
CID 105021010
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
(5-bromo-4-methylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021086
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanamine
CID 105021067
(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
CID 103215982
2-amino-2-quinolin-6-ylacetonitrile
CID 63968103
(1S)-1-quinolin-6-ylprop-2-en-1-amine
CID 130700290

Frequently Asked Questions

What is the IUPAC name of quinolin-6-yl(1,3-thiazol-2-yl)methanamine?
The IUPAC name of quinolin-6-yl(1,3-thiazol-2-yl)methanamine (CID 63970380) is quinolin-6-yl(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for quinolin-6-yl(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for quinolin-6-yl(1,3-thiazol-2-yl)methanamine is NC(c1ccc2ncccc2c1)c1nccs1.
What is the InChIKey of quinolin-6-yl(1,3-thiazol-2-yl)methanamine?
The InChIKey is GQJXSQWMKGCNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-12(13-16-6-7-17-13)10-3-4-11-9(8-10)2-1-5-15-11/h1-8,12H,14H2.
What are the key properties of quinolin-6-yl(1,3-thiazol-2-yl)methanamine?
quinolin-6-yl(1,3-thiazol-2-yl)methanamine has a molecular weight of 241.32 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-6-yl(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 63970380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).