N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine

C13H15FN4S — CID 103502305

IUPACN-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C13H15FN4S/c1-2-15-13-17-16-12(19-13)8-18-6-5-9-3-4-10(14)7-11(9)18/h3-4,7H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyUPKXNXNGBQFZLR-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.67
Rot. Bonds4

About N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103502305) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103502305
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC NameN-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C13H15FN4S/c1-2-15-13-17-16-12(19-13)8-18-6-5-9-3-4-10(14)7-11(9)18/h3-4,7H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyUPKXNXNGBQFZLR-UHFFFAOYSA-N
XLogP2.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 103502310
N-ethyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80606765
N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 107557641
N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
CID 103503085
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
4-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiadiazol-5-amine
CID 103502277
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 104526821
N-ethyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80607780
2-[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 103815804
N-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)-4,4-dimethylpentan-3-amine
CID 103502548
2-(ethylamino)-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 103501934
1-[(4-bromophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 103502305) is N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN2CCc3ccc(F)cc32)s1.
What is the InChIKey of N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UPKXNXNGBQFZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4S/c1-2-15-13-17-16-12(19-13)8-18-6-5-9-3-4-10(14)7-11(9)18/h3-4,7H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.67, 4 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-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103502305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).