5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C18H17N3O4S — CID 17473575

IUPAC5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C18H17N3O4S/c22-15(12-10-19-17-21(16(12)23)7-8-26-17)20-11-3-4-13-14(9-11)25-18(24-13)5-1-2-6-18/h3-4,9-10H,1-2,5-8H2,(H,20,22)
InChIKeyOCEVYDRZNYAYPX-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.64
Rot. Bonds2

About 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17473575) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17473575
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C18H17N3O4S/c22-15(12-10-19-17-21(16(12)23)7-8-26-17)20-11-3-4-13-14(9-11)25-18(24-13)5-1-2-6-18/h3-4,9-10H,1-2,5-8H2,(H,20,22)
InChIKeyOCEVYDRZNYAYPX-UHFFFAOYSA-N
XLogP2.64
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17473575) is 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OCEVYDRZNYAYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-15(12-10-19-17-21(16(12)23)7-8-26-17)20-11-3-4-13-14(9-11)25-18(24-13)5-1-2-6-18/h3-4,9-10H,1-2,5-8H2,(H,20,22).
What are the key properties of 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17473575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).