5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine

C14H12ClN3S — CID 116811986

IUPAC5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C14H12ClN3S/c1-2-16-14-18-8-12(19-14)10-5-6-11(15)9-4-3-7-17-13(9)10/h3-8H,2H2,1H3,(H,16,18)
InChIKeyOFAODMMACVWOEX-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.44
Rot. Bonds3

About 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine

5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 116811986) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID116811986
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2ccc(Cl)c3cccnc23)s1
InChIInChI=1S/C14H12ClN3S/c1-2-16-14-18-8-12(19-14)10-5-6-11(15)9-4-3-7-17-13(9)10/h3-8H,2H2,1H3,(H,16,18)
InChIKeyOFAODMMACVWOEX-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811958
1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine
CID 116785261
5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812031
5-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811974
[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
CID 112618307
N-(2-methoxyethyl)-5-quinolin-8-yl-1,3-thiazol-2-amine
CID 116812463
N-ethyl-5-(2-methylquinolin-4-yl)-1,3-thiazol-2-amine
CID 116811999
[5-(5-chloroquinolin-8-yl)thiophen-2-yl]-cyclopropylmethanone
CID 116785248
N-ethyl-5-(2-ethylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 114558342
1-(5-chloroquinolin-8-yl)-N-ethylethane-1,2-diamine
CID 112617871
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
6-(5-chloroquinolin-8-yl)oxy-N-ethylpyridin-2-amine
CID 80867005

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine (CID 116811986) is 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(-c2ccc(Cl)c3cccnc23)s1.
What is the InChIKey of 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is OFAODMMACVWOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-2-16-14-18-8-12(19-14)10-5-6-11(15)9-4-3-7-17-13(9)10/h3-8H,2H2,1H3,(H,16,18).
What are the key properties of 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine?
5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 289.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloroquinolin-8-yl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116811986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).