[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone

C20H21N5O2S2 — CID 170512477

IUPAC[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone
SMILESNc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)c3cnc(N)s3)CC2)n1
InChIInChI=1S/C20H21N5O2S2/c21-17-3-1-2-13(24-17)15-10-12-14(28-15)4-9-27-20(12)5-7-25(8-6-20)18(26)16-11-23-19(22)29-16/h1-3,10-11H,4-9H2,(H2,21,24)(H2,22,23)
InChIKeyAJIPOINDCNWWNM-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.14
Rot. Bonds2

About [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone

[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone (PubChem CID 170512477) has the molecular formula C20H21N5O2S2 and a molecular weight of 427.56 g/mol. Its IUPAC name is [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone
PubChem CID170512477
Molecular FormulaC20H21N5O2S2
Molecular Weight427.56 g/mol
Exact Mass427.11
IUPAC Name[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone
SMILESNc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)c3cnc(N)s3)CC2)n1
InChIInChI=1S/C20H21N5O2S2/c21-17-3-1-2-13(24-17)15-10-12-14(28-15)4-9-27-20(12)5-7-25(8-6-20)18(26)16-11-23-19(22)29-16/h1-3,10-11H,4-9H2,(H2,21,24)(H2,22,23)
InChIKeyAJIPOINDCNWWNM-UHFFFAOYSA-N
XLogP3.14
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(1-aminocyclobutyl)-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methanone
CID 170504355
[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 170505239
[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]methanone
CID 170512887
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-pyrrolidin-3-ylethanone
CID 170511659
3-[2-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 170513315
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 170507893
(5S)-5-[2-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-oxoethyl]pyrrolidin-2-one
CID 170506576
1-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-(oxan-3-yl)ethanone
CID 170512156
6-[2-(5-aminopyrazin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl]-1H-pyridin-2-one
CID 170508626
(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 170510060
4-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 170507945
1'-(2-amino-1,3-thiazole-5-carbonyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid
CID 164692583

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone (CID 170512477) is [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone is Nc1cccc(-c2cc3c(s2)CCOC32CCN(C(=O)c3cnc(N)s3)CC2)n1.
What is the InChIKey of [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone?
The InChIKey is AJIPOINDCNWWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S2/c21-17-3-1-2-13(24-17)15-10-12-14(28-15)4-9-27-20(12)5-7-25(8-6-20)18(26)16-11-23-19(22)29-16/h1-3,10-11H,4-9H2,(H2,21,24)(H2,22,23).
What are the key properties of [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone?
[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone has a molecular weight of 427.56 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-(2-amino-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 170512477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).