N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide

C17H22N2O2S — CID 119341941

IUPACN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CC2(CCCC2)Oc2ccccc21)C1CSCN1
InChIInChI=1S/C17H22N2O2S/c20-16(14-10-22-11-18-14)19-13-9-17(7-3-4-8-17)21-15-6-2-1-5-12(13)15/h1-2,5-6,13-14,18H,3-4,7-11H2,(H,19,20)
InChIKeyYCTCIETWDCOKOY-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.60
Rot. Bonds2

About N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide

N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 119341941) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide
PubChem CID119341941
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CC2(CCCC2)Oc2ccccc21)C1CSCN1
InChIInChI=1S/C17H22N2O2S/c20-16(14-10-22-11-18-14)19-13-9-17(7-3-4-8-17)21-15-6-2-1-5-12(13)15/h1-2,5-6,13-14,18H,3-4,7-11H2,(H,19,20)
InChIKeyYCTCIETWDCOKOY-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide (CID 119341941) is N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide is O=C(NC1CC2(CCCC2)Oc2ccccc21)C1CSCN1.
What is the InChIKey of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is YCTCIETWDCOKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-16(14-10-22-11-18-14)19-13-9-17(7-3-4-8-17)21-15-6-2-1-5-12(13)15/h1-2,5-6,13-14,18H,3-4,7-11H2,(H,19,20).
What are the key properties of N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide?
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119341941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).