methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate

C15H17N3O4S — CID 51337398

IUPACmethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cnc3sccn3c2=O)CCCCC1
InChIInChI=1S/C15H17N3O4S/c1-22-13(21)15(5-3-2-4-6-15)17-11(19)10-9-16-14-18(12(10)20)7-8-23-14/h7-9H,2-6H2,1H3,(H,17,19)
InChIKeyAOKLQVJSBVJWOI-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.36
Rot. Bonds3

About methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate

methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 51337398) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID51337398
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Namemethyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cnc3sccn3c2=O)CCCCC1
InChIInChI=1S/C15H17N3O4S/c1-22-13(21)15(5-3-2-4-6-15)17-11(19)10-9-16-14-18(12(10)20)7-8-23-14/h7-9H,2-6H2,1H3,(H,17,19)
InChIKeyAOKLQVJSBVJWOI-UHFFFAOYSA-N
XLogP1.36
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate (CID 51337398) is methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2cnc3sccn3c2=O)CCCCC1.
What is the InChIKey of methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is AOKLQVJSBVJWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-22-13(21)15(5-3-2-4-6-15)17-11(19)10-9-16-14-18(12(10)20)7-8-23-14/h7-9H,2-6H2,1H3,(H,17,19).
What are the key properties of methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 335.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 51337398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).