(3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone

C17H18N2OS — CID 154867736

IUPAC(3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone
SMILESCc1cc(C(=O)N2CCC3(Cc4ccccc4C3)C2)sn1
InChIInChI=1S/C17H18N2OS/c1-12-8-15(21-18-12)16(20)19-7-6-17(11-19)9-13-4-2-3-5-14(13)10-17/h2-5,8H,6-7,9-11H2,1H3
InChIKeyPPZULJXMCYLPOG-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.08
Rot. Bonds1

About (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone

(3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone (PubChem CID 154867736) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone
PubChem CID154867736
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone
SMILESCc1cc(C(=O)N2CCC3(Cc4ccccc4C3)C2)sn1
InChIInChI=1S/C17H18N2OS/c1-12-8-15(21-18-12)16(20)19-7-6-17(11-19)9-13-4-2-3-5-14(13)10-17/h2-5,8H,6-7,9-11H2,1H3
InChIKeyPPZULJXMCYLPOG-UHFFFAOYSA-N
XLogP3.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1,2-thiazol-5-yl)-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonan-8-yl]methanone
CID 66653846
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-phenyl-1,2-thiazol-5-yl)methanone
CID 120803771
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
[4-(dimethylamino)phenyl]-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 11515524
(2R)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1',5-dicarboxylic acid
CID 138707641
N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide
CID 122138775
1-benzothiophen-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 122158370
2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 118740602
1-[5-[2-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]thiophen-2-yl]ethanone
CID 3868403
1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 69201847
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone (CID 154867736) is (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone is Cc1cc(C(=O)N2CCC3(Cc4ccccc4C3)C2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone?
The InChIKey is PPZULJXMCYLPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-8-15(21-18-12)16(20)19-7-6-17(11-19)9-13-4-2-3-5-14(13)10-17/h2-5,8H,6-7,9-11H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone?
(3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone has a molecular weight of 298.41 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylmethanone is sourced from PubChem (CID 154867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).