5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine

C15H16FN3S — CID 120902155

IUPAC5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CC3(CCC3)c3c(F)cccc32)s1
InChIInChI=1S/C15H16FN3S/c16-11-3-1-4-12-13(11)15(5-2-6-15)9-19(12)8-10-7-18-14(17)20-10/h1,3-4,7H,2,5-6,8-9H2,(H2,17,18)
InChIKeyDPCQOGMDMVPHRA-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.31
Rot. Bonds2

About 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine

5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120902155) has the molecular formula C15H16FN3S and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120902155
Molecular FormulaC15H16FN3S
Molecular Weight289.38 g/mol
Exact Mass289.10
IUPAC Name5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CC3(CCC3)c3c(F)cccc32)s1
InChIInChI=1S/C15H16FN3S/c16-11-3-1-4-12-13(11)15(5-2-6-15)9-19(12)8-10-7-18-14(17)20-10/h1,3-4,7H,2,5-6,8-9H2,(H2,17,18)
InChIKeyDPCQOGMDMVPHRA-UHFFFAOYSA-N
XLogP3.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine (CID 120902155) is 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CC3(CCC3)c3c(F)cccc32)s1.
What is the InChIKey of 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DPCQOGMDMVPHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3S/c16-11-3-1-4-12-13(11)15(5-2-6-15)9-19(12)8-10-7-18-14(17)20-10/h1,3-4,7H,2,5-6,8-9H2,(H2,17,18).
What are the key properties of 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).