7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H20N4OS — CID 66244840

IUPAC7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1(C)C2CNCC2CN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H20N4OS/c1-15(2)12-7-16-6-10(12)8-18(15)9-11-5-13(20)19-3-4-21-14(19)17-11/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyLKZYXIUDIMXYHR-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.19
Rot. Bonds2

About 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66244840) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66244840
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1(C)C2CNCC2CN1Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H20N4OS/c1-15(2)12-7-16-6-10(12)8-18(15)9-11-5-13(20)19-3-4-21-14(19)17-11/h3-5,10,12,16H,6-9H2,1-2H3
InChIKeyLKZYXIUDIMXYHR-UHFFFAOYSA-N
XLogP1.19
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66244840) is 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1(C)C2CNCC2CN1Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LKZYXIUDIMXYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-15(2)12-7-16-6-10(12)8-18(15)9-11-5-13(20)19-3-4-21-14(19)17-11/h3-5,10,12,16H,6-9H2,1-2H3.
What are the key properties of 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 304.42 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66244840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).