N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine

C16H18N4S — CID 154747179

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine
SMILESCCc1nnc(CNc2cc(C)c(C)c3ncccc23)s1
InChIInChI=1S/C16H18N4S/c1-4-14-19-20-15(21-14)9-18-13-8-10(2)11(3)16-12(13)6-5-7-17-16/h5-8,18H,4,9H2,1-3H3
InChIKeyAAWBOAREDJJTIY-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.88
Rot. Bonds4

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine (PubChem CID 154747179) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine
PubChem CID154747179
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine
SMILESCCc1nnc(CNc2cc(C)c(C)c3ncccc23)s1
InChIInChI=1S/C16H18N4S/c1-4-14-19-20-15(21-14)9-18-13-8-10(2)11(3)16-12(13)6-5-7-17-16/h5-8,18H,4,9H2,1-3H3
InChIKeyAAWBOAREDJJTIY-UHFFFAOYSA-N
XLogP3.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine (CID 154747179) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine is CCc1nnc(CNc2cc(C)c(C)c3ncccc23)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine?
The InChIKey is AAWBOAREDJJTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-4-14-19-20-15(21-14)9-18-13-8-10(2)11(3)16-12(13)6-5-7-17-16/h5-8,18H,4,9H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine has a molecular weight of 298.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7,8-dimethylquinolin-5-amine is sourced from PubChem (CID 154747179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).