(4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone

C17H23N3O2S — CID 136585454

IUPAC(4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
SMILESNC1CC2(CCN(C(=O)[C@H]3CSCN3)CC2)Oc2ccccc21
InChIInChI=1S/C17H23N3O2S/c18-13-9-17(22-15-4-2-1-3-12(13)15)5-7-20(8-6-17)16(21)14-10-23-11-19-14/h1-4,13-14,19H,5-11,18H2/t13?,14-/m1/s1
InChIKeyRTIDQDFPNRJANB-ARLHGKGLSA-N
MW333.46 g/mol
LogP1.49
Rot. Bonds1

About (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone

(4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone (PubChem CID 136585454) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name(4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
PubChem CID136585454
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone
SMILESNC1CC2(CCN(C(=O)[C@H]3CSCN3)CC2)Oc2ccccc21
InChIInChI=1S/C17H23N3O2S/c18-13-9-17(22-15-4-2-1-3-12(13)15)5-7-20(8-6-17)16(21)14-10-23-11-19-14/h1-4,13-14,19H,5-11,18H2/t13?,14-/m1/s1
InChIKeyRTIDQDFPNRJANB-ARLHGKGLSA-N
XLogP1.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-1,3-thiazolidine-4-carboxamide
CID 119341941
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946242
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108

Frequently Asked Questions

What is the IUPAC name of (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone (CID 136585454) is (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone is NC1CC2(CCN(C(=O)[C@H]3CSCN3)CC2)Oc2ccccc21.
What is the InChIKey of (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is RTIDQDFPNRJANB-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H23N3O2S/c18-13-9-17(22-15-4-2-1-3-12(13)15)5-7-20(8-6-17)16(21)14-10-23-11-19-14/h1-4,13-14,19H,5-11,18H2/t13?,14-/m1/s1.
What are the key properties of (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone?
(4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 333.46 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 136585454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).