6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine

C16H16ClN3S — CID 43779310

IUPAC6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
SMILESCc1ncsc1C(C)Nc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C16H16ClN3S/c1-9-7-13(17)15(12-5-4-6-18-14(9)12)20-11(3)16-10(2)19-8-21-16/h4-8,11,20H,1-3H3
InChIKeyUJZKRLCPWWXTLT-UHFFFAOYSA-N
MW317.85 g/mol
LogP5.13
Rot. Bonds3

About 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine

6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine (PubChem CID 43779310) has the molecular formula C16H16ClN3S and a molecular weight of 317.85 g/mol. Its IUPAC name is 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine.

Molecular Properties

Compound Name6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
PubChem CID43779310
Molecular FormulaC16H16ClN3S
Molecular Weight317.85 g/mol
Exact Mass317.08
IUPAC Name6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine
SMILESCc1ncsc1C(C)Nc1c(Cl)cc(C)c2ncccc12
InChIInChI=1S/C16H16ClN3S/c1-9-7-13(17)15(12-5-4-6-18-14(9)12)20-11(3)16-10(2)19-8-21-16/h4-8,11,20H,1-3H3
InChIKeyUJZKRLCPWWXTLT-UHFFFAOYSA-N
XLogP5.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.85
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(5-thiazolyl)-4-quinolinamine
CID 118736888
N-[[4-[4-(4-chloro-2-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 44532511
7-chloro-N-[(4-phenylthiazol-2-yl)methyl]quinolin-4-amine
CID 71458169
N-[6-chloro-2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 162674271
RD 12869
CID 203866
N-[[5-[4-(2-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-4-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 44532522
4-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole
CID 118324022
4-[(4-Chlorophenyl)-[4-(2-phenylethenyl)quinolin-6-yl]methyl]-1,3-thiazole
CID 123373291
3-chloro-N-[(1R)-1-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]ethyl]quinolin-4-amine
CID 126530920
3-chloro-N-[1-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]ethyl]quinolin-4-amine
CID 126530921
4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine
CID 133299096
4-chloro-8-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]quinolin-7-amine
CID 133308649

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine?
The IUPAC name of 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine (CID 43779310) is 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine.
What is the SMILES notation for 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine?
The canonical SMILES for 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine is Cc1ncsc1C(C)Nc1c(Cl)cc(C)c2ncccc12.
What is the InChIKey of 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine?
The InChIKey is UJZKRLCPWWXTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3S/c1-9-7-13(17)15(12-5-4-6-18-14(9)12)20-11(3)16-10(2)19-8-21-16/h4-8,11,20H,1-3H3.
What are the key properties of 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine?
6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine has a molecular weight of 317.85 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-5-amine is sourced from PubChem (CID 43779310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).