[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine

C13H10ClN3S — CID 112618307

IUPAC[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C13H10ClN3S/c14-11-4-3-10(12-9(11)2-1-5-16-12)13-17-7-8(6-15)18-13/h1-5,7H,6,15H2
InChIKeyBIRCFFYKVAYWGD-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.47
Rot. Bonds2

About [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine

[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 112618307) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID112618307
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C13H10ClN3S/c14-11-4-3-10(12-9(11)2-1-5-16-12)13-17-7-8(6-15)18-13/h1-5,7H,6,15H2
InChIKeyBIRCFFYKVAYWGD-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658
[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 63082297
5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
CID 116811986
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
1-[2-(5-chloroquinolin-8-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 115960154
2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115959776
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
CID 107125215
5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole
CID 114281167
1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine
CID 116785261
1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
CID 116785285
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine (CID 112618307) is [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2ccc(Cl)c3cccnc23)s1.
What is the InChIKey of [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BIRCFFYKVAYWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-11-4-3-10(12-9(11)2-1-5-16-12)13-17-7-8(6-15)18-13/h1-5,7H,6,15H2.
What are the key properties of [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine?
[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 275.76 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 112618307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).