6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine

C16H17N3S — CID 133468064

IUPAC6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine
SMILESCc1ccc2nccc(NCCc3csc(C)n3)c2c1
InChIInChI=1S/C16H17N3S/c1-11-3-4-15-14(9-11)16(6-8-18-15)17-7-5-13-10-20-12(2)19-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,18)
InChIKeyZOFROMYEIGOQIO-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.96
Rot. Bonds4

About 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine

6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine (PubChem CID 133468064) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine
PubChem CID133468064
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine
SMILESCc1ccc2nccc(NCCc3csc(C)n3)c2c1
InChIInChI=1S/C16H17N3S/c1-11-3-4-15-14(9-11)16(6-8-18-15)17-7-5-13-10-20-12(2)19-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,18)
InChIKeyZOFROMYEIGOQIO-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
CID 118717458
5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 106036205
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,7-naphthyridin-1-amine
CID 166260063
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinoline-5,8-diamine
CID 106035847
7-methyl-N-propylquinolin-4-amine
CID 71072403
4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106041619
N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
N-ethyl-7-methylquinolin-4-amine
CID 89060504
6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one
CID 136819009
5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204
2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 106035818
4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036173

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine?
The IUPAC name of 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine (CID 133468064) is 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine.
What is the SMILES notation for 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine?
The canonical SMILES for 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine is Cc1ccc2nccc(NCCc3csc(C)n3)c2c1.
What is the InChIKey of 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine?
The InChIKey is ZOFROMYEIGOQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-3-4-15-14(9-11)16(6-8-18-15)17-7-5-13-10-20-12(2)19-13/h3-4,6,8-10H,5,7H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine?
6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-4-amine is sourced from PubChem (CID 133468064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).