N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H15N3O2S — CID 4564512

IUPACN-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O2S/c17-11(15-9-4-2-1-3-5-9)10-8-14-13-16(12(10)18)6-7-19-13/h6-9H,1-5H2,(H,15,17)
InChIKeyAITHHZVDQFVYKJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.82
Rot. Bonds2

About N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4564512) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4564512
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C13H15N3O2S/c17-11(15-9-4-2-1-3-5-9)10-8-14-13-16(12(10)18)6-7-19-13/h6-9H,1-5H2,(H,15,17)
InChIKeyAITHHZVDQFVYKJ-UHFFFAOYSA-N
XLogP1.82
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4564512) is N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCCC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AITHHZVDQFVYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-11(15-9-4-2-1-3-5-9)10-8-14-13-16(12(10)18)6-7-19-13/h6-9H,1-5H2,(H,15,17).
What are the key properties of N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4564512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).