N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

C15H16ClN3S — CID 116785087

IUPACN-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccc(Cl)c3cccnc23)=N1
InChIInChI=1S/C15H16ClN3S/c1-3-15(2)9-20-14(19-15)18-12-7-6-11(16)10-5-4-8-17-13(10)12/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyQAHXMQNURMBQNN-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.57
Rot. Bonds2

About N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 116785087) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID116785087
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC NameN-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccc(Cl)c3cccnc23)=N1
InChIInChI=1S/C15H16ClN3S/c1-3-15(2)9-20-14(19-15)18-12-7-6-11(16)10-5-4-8-17-13(10)12/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyQAHXMQNURMBQNN-UHFFFAOYSA-N
XLogP4.57
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloroquinolin-8-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 116785082
4-ethyl-4-methyl-N-quinolin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164859
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine
CID 64851147
4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64556048
4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
CID 116785810
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853

Frequently Asked Questions

What is the IUPAC name of N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 116785087) is N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2ccc(Cl)c3cccnc23)=N1.
What is the InChIKey of N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is QAHXMQNURMBQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-3-15(2)9-20-14(19-15)18-12-7-6-11(16)10-5-4-8-17-13(10)12/h4-8H,3,9H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 305.83 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 116785087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).