5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C17H21FN4S — CID 120905732

IUPAC5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(N3CCc4cc(F)ccc43)CC2)s1
InChIInChI=1S/C17H21FN4S/c18-13-1-2-16-12(9-13)3-8-22(16)14-4-6-21(7-5-14)11-15-10-20-17(19)23-15/h1-2,9-10,14H,3-8,11H2,(H2,19,20)
InChIKeyGADTXNPXNVLYKX-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.89
Rot. Bonds3

About 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120905732) has the molecular formula C17H21FN4S and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120905732
Molecular FormulaC17H21FN4S
Molecular Weight332.45 g/mol
Exact Mass332.15
IUPAC Name5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(N3CCc4cc(F)ccc43)CC2)s1
InChIInChI=1S/C17H21FN4S/c18-13-1-2-16-12(9-13)3-8-22(16)14-4-6-21(7-5-14)11-15-10-20-17(19)23-15/h1-2,9-10,14H,3-8,11H2,(H2,19,20)
InChIKeyGADTXNPXNVLYKX-UHFFFAOYSA-N
XLogP2.89
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120905732) is 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(N3CCc4cc(F)ccc43)CC2)s1.
What is the InChIKey of 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is GADTXNPXNVLYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4S/c18-13-1-2-16-12(9-13)3-8-22(16)14-4-6-21(7-5-14)11-15-10-20-17(19)23-15/h1-2,9-10,14H,3-8,11H2,(H2,19,20).
What are the key properties of 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 332.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120905732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).