6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H13N3O2S — CID 1482427

IUPAC6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(C)/C=C/C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H13N3O2S/c1-13(2)4-3-9(15)8-7-12-11-14(10(8)16)5-6-17-11/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyCOWHMGVDJSMPII-ONEGZZNKSA-N
MW251.31 g/mol
LogP0.61
Rot. Bonds3

About 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 1482427) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID1482427
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN(C)/C=C/C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C11H13N3O2S/c1-13(2)4-3-9(15)8-7-12-11-14(10(8)16)5-6-17-11/h3-4,7H,5-6H2,1-2H3/b4-3+
InChIKeyCOWHMGVDJSMPII-ONEGZZNKSA-N
XLogP0.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 1482427) is 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN(C)/C=C/C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is COWHMGVDJSMPII-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-13(2)4-3-9(15)8-7-12-11-14(10(8)16)5-6-17-11/h3-4,7H,5-6H2,1-2H3/b4-3+.
What are the key properties of 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 251.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-(dimethylamino)prop-2-enoyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 1482427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).