(2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone

C18H25N3O4S — CID 155875797

IUPAC(2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC2(COCc3sc(N4CCOCC4)nc32)C1
InChIInChI=1S/C18H25N3O4S/c22-16(13-1-6-24-9-13)21-3-2-18(11-21)12-25-10-14-15(18)19-17(26-14)20-4-7-23-8-5-20/h13H,1-12H2
InChIKeyBZPZMRLFLOOQED-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.02
Rot. Bonds2

About (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone

(2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone (PubChem CID 155875797) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone
PubChem CID155875797
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name(2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC2(COCc3sc(N4CCOCC4)nc32)C1
InChIInChI=1S/C18H25N3O4S/c22-16(13-1-6-24-9-13)21-3-2-18(11-21)12-25-10-14-15(18)19-17(26-14)20-4-7-23-8-5-20/h13H,1-12H2
InChIKeyBZPZMRLFLOOQED-UHFFFAOYSA-N
XLogP1.02
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone (CID 155875797) is (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC2(COCc3sc(N4CCOCC4)nc32)C1.
What is the InChIKey of (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone?
The InChIKey is BZPZMRLFLOOQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c22-16(13-1-6-24-9-13)21-3-2-18(11-21)12-25-10-14-15(18)19-17(26-14)20-4-7-23-8-5-20/h13H,1-12H2.
What are the key properties of (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone?
(2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone has a molecular weight of 379.48 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylspiro[4,6-dihydropyrano[4,3-d][1,3]thiazole-7,3'-pyrrolidine]-1'-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 155875797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).