N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine

C16H17N3S — CID 82448433

IUPACN-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C)nc3c(C)c(C)ccc23)cs1
InChIInChI=1S/C16H17N3S/c1-9-5-6-12-13(14-8-20-16(17-4)19-14)7-10(2)18-15(12)11(9)3/h5-8H,1-4H3,(H,17,19)
InChIKeyJFQZQLQMFTWSHK-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.33
Rot. Bonds2

About N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine

N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 82448433) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
PubChem CID82448433
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C)nc3c(C)c(C)ccc23)cs1
InChIInChI=1S/C16H17N3S/c1-9-5-6-12-13(14-8-20-16(17-4)19-14)7-10(2)18-15(12)11(9)3/h5-8H,1-4H3,(H,17,19)
InChIKeyJFQZQLQMFTWSHK-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloro-2-methylquinolin-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 82449132
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
N-ethyl-4-(2,6,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82448532
2,6-dimethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442682
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
4-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528526
N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82447779
N,7,8-trimethyl-2-propylquinolin-4-amine
CID 63480138
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 86657697
N-methyl-4-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 86806465

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine (CID 82448433) is N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine is CNc1nc(-c2cc(C)nc3c(C)c(C)ccc23)cs1.
What is the InChIKey of N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is JFQZQLQMFTWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-9-5-6-12-13(14-8-20-16(17-4)19-14)7-10(2)18-15(12)11(9)3/h5-8H,1-4H3,(H,17,19).
What are the key properties of N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine?
N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,7,8-trimethylquinolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82448433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).