(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride

C16H20ClFN2OS — CID 119312873

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C16H19FN2OS.ClH/c17-11-4-3-5-13-14(11)16(6-1-2-7-16)9-19(13)15(20)12-8-21-10-18-12;/h3-5,12,18H,1-2,6-10H2;1H
InChIKeyUNEHYFWMIYQXKG-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.07
Rot. Bonds1

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride (PubChem CID 119312873) has the molecular formula C16H20ClFN2OS and a molecular weight of 342.87 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
PubChem CID119312873
Molecular FormulaC16H20ClFN2OS
Molecular Weight342.87 g/mol
Exact Mass342.10
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(C1CSCN1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C16H19FN2OS.ClH/c17-11-4-3-5-13-14(11)16(6-1-2-7-16)9-19(13)15(20)12-8-21-10-18-12;/h3-5,12,18H,1-2,6-10H2;1H
InChIKeyUNEHYFWMIYQXKG-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride (CID 119312873) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride is Cl.O=C(C1CSCN1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The InChIKey is UNEHYFWMIYQXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS.ClH/c17-11-4-3-5-13-14(11)16(6-1-2-7-16)9-19(13)15(20)12-8-21-10-18-12;/h3-5,12,18H,1-2,6-10H2;1H.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119312873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).