N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine

C14H13FN4S — CID 82449224

IUPACN-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cc(C)nc3ccc(F)cc23)s1
InChIInChI=1S/C14H13FN4S/c1-3-16-14-19-18-13(20-14)11-6-8(2)17-12-5-4-9(15)7-10(11)12/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyCVJVXMQEMXPPMO-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.63
Rot. Bonds3

About N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82449224) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82449224
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC NameN-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cc(C)nc3ccc(F)cc23)s1
InChIInChI=1S/C14H13FN4S/c1-3-16-14-19-18-13(20-14)11-6-8(2)17-12-5-4-9(15)7-10(11)12/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyCVJVXMQEMXPPMO-UHFFFAOYSA-N
XLogP3.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine
CID 82447733
N-ethyl-5-(2-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 61037549
N-ethyl-5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528380
N-ethyl-5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 25220460
N-ethyl-5-(2-methylquinolin-4-yl)-1,3-thiazol-2-amine
CID 116811999
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442898
N-(2,2-difluoroethyl)-6-fluoro-2-methylquinolin-4-amine
CID 133368446
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202
6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 108802513
4-(2,4-difluorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 60642208
1-[(6-fluoro-2-methylquinolin-4-yl)amino]pentan-2-ol
CID 133388853

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine (CID 82449224) is N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2cc(C)nc3ccc(F)cc23)s1.
What is the InChIKey of N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CVJVXMQEMXPPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c1-3-16-14-19-18-13(20-14)11-6-8(2)17-12-5-4-9(15)7-10(11)12/h4-7H,3H2,1-2H3,(H,16,19).
What are the key properties of N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(6-fluoro-2-methylquinolin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82449224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).