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

C14H17FN4S — CID 103502310

IUPAC5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C14H17FN4S/c1-2-6-16-14-18-17-13(20-14)9-19-7-5-10-3-4-11(15)8-12(10)19/h3-4,8H,2,5-7,9H2,1H3,(H,16,18)
InChIKeySUYITPHLQRXUKF-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.06
Rot. Bonds5

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

5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 103502310) has the molecular formula C14H17FN4S and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID103502310
Molecular FormulaC14H17FN4S
Molecular Weight292.38 g/mol
Exact Mass292.12
IUPAC Name5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCc3ccc(F)cc32)s1
InChIInChI=1S/C14H17FN4S/c1-2-6-16-14-18-17-13(20-14)9-19-7-5-10-3-4-11(15)8-12(10)19/h3-4,8H,2,5-7,9H2,1H3,(H,16,18)
InChIKeySUYITPHLQRXUKF-UHFFFAOYSA-N
XLogP3.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 103502310) is 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN2CCc3ccc(F)cc32)s1.
What is the InChIKey of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SUYITPHLQRXUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4S/c1-2-6-16-14-18-17-13(20-14)9-19-7-5-10-3-4-11(15)8-12(10)19/h3-4,8H,2,5-7,9H2,1H3,(H,16,18).
What are the key properties of 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 292.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103502310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).