N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H17N3O2S — CID 17248284

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C15H17N3O2S/c19-13(16-7-6-11-4-2-1-3-5-11)12-10-17-15-18(14(12)20)8-9-21-15/h4,8-10H,1-3,5-7H2,(H,16,19)
InChIKeySBOQOLNYRYJDRR-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248284) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248284
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C15H17N3O2S/c19-13(16-7-6-11-4-2-1-3-5-11)12-10-17-15-18(14(12)20)8-9-21-15/h4,8-10H,1-3,5-7H2,(H,16,19)
InChIKeySBOQOLNYRYJDRR-UHFFFAOYSA-N
XLogP2.38
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248284) is N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCC1=CCCCC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SBOQOLNYRYJDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-13(16-7-6-11-4-2-1-3-5-11)12-10-17-15-18(14(12)20)8-9-21-15/h4,8-10H,1-3,5-7H2,(H,16,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).