2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C20H21N3OS2 — CID 155509497

IUPAC2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1cnccc1-c1cc2c(s1)C1(CCN(c3nccs3)CC1)OCC2
InChIInChI=1S/C20H21N3OS2/c1-14-13-21-6-2-16(14)17-12-15-3-10-24-20(18(15)26-17)4-8-23(9-5-20)19-22-7-11-25-19/h2,6-7,11-13H,3-5,8-10H2,1H3
InChIKeyQROGXYPMDYDMBH-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.64
Rot. Bonds2

About 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 155509497) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID155509497
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC Name2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCc1cnccc1-c1cc2c(s1)C1(CCN(c3nccs3)CC1)OCC2
InChIInChI=1S/C20H21N3OS2/c1-14-13-21-6-2-16(14)17-12-15-3-10-24-20(18(15)26-17)4-8-23(9-5-20)19-22-7-11-25-19/h2,6-7,11-13H,3-5,8-10H2,1H3
InChIKeyQROGXYPMDYDMBH-UHFFFAOYSA-N
XLogP4.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-pyridin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135118729
5,6-dimethyl-2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
CID 135090073
oxan-4-yl-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 170506293
1'-(2-methylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164692421
1'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 163310687
2-(3,5-dimethylpyrazol-1-yl)-1-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethanone
CID 170509517
1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 135094594
6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridine-3-carbonitrile
CID 135112113
2-(6-methylpyridazin-3-yl)-1'-propylsulfonylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 155508041
1-(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-2-pyridin-2-ylsulfanylethanone
CID 170502068
(2-pyrazin-2-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 170509470
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 155509497) is 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is Cc1cnccc1-c1cc2c(s1)C1(CCN(c3nccs3)CC1)OCC2.
What is the InChIKey of 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is QROGXYPMDYDMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-14-13-21-6-2-16(14)17-12-15-3-10-24-20(18(15)26-17)4-8-23(9-5-20)19-22-7-11-25-19/h2,6-7,11-13H,3-5,8-10H2,1H3.
What are the key properties of 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 383.54 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-pyridinyl)-1'-(1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 155509497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).