6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

C12H17N3O2S — CID 70531071

IUPAC6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESCCC=CCCNC1C(=O)N=C2SCCN2C1=O
InChIInChI=1S/C12H17N3O2S/c1-2-3-4-5-6-13-9-10(16)14-12-15(11(9)17)7-8-18-12/h3-4,9,13H,2,5-8H2,1H3
InChIKeyWLDXEHBKAUTEIH-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.77
Rot. Bonds5

About 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (PubChem CID 70531071) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
PubChem CID70531071
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESCCC=CCCNC1C(=O)N=C2SCCN2C1=O
InChIInChI=1S/C12H17N3O2S/c1-2-3-4-5-6-13-9-10(16)14-12-15(11(9)17)7-8-18-12/h3-4,9,13H,2,5-8H2,1H3
InChIKeyWLDXEHBKAUTEIH-UHFFFAOYSA-N
XLogP0.77
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (CID 70531071) is 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is CCC=CCCNC1C(=O)N=C2SCCN2C1=O.
What is the InChIKey of 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The InChIKey is WLDXEHBKAUTEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-3-4-5-6-13-9-10(16)14-12-15(11(9)17)7-8-18-12/h3-4,9,13H,2,5-8H2,1H3.
What are the key properties of 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione has a molecular weight of 267.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-3-enylamino)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 70531071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).