N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H15N3O3S — CID 135853303

IUPACN-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C13H15N3O3S/c17-10(14-8-4-2-1-3-5-8)9-11(18)15-13-16(12(9)19)6-7-20-13/h6-8,18H,1-5H2,(H,14,17)
InChIKeySYTGFIHKBGSFCT-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.52
Rot. Bonds2

About N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853303) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853303
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C13H15N3O3S/c17-10(14-8-4-2-1-3-5-8)9-11(18)15-13-16(12(9)19)6-7-20-13/h6-8,18H,1-5H2,(H,14,17)
InChIKeySYTGFIHKBGSFCT-UHFFFAOYSA-N
XLogP1.52
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853303) is N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCCC1)c1c(O)nc2sccn2c1=O.
What is the InChIKey of N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SYTGFIHKBGSFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-10(14-8-4-2-1-3-5-8)9-11(18)15-13-16(12(9)19)6-7-20-13/h6-8,18H,1-5H2,(H,14,17).
What are the key properties of N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).