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

C19H19N3O2S — CID 4224151

IUPACN-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C19H19N3O2S/c23-17(21-14-9-5-2-6-10-14)15-11-20-19-22(18(15)24)16(12-25-19)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,21,23)
InChIKeyFOKWVFLSJPAEGY-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.49
Rot. Bonds3

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

N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4224151) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4224151
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2scc(-c3ccccc3)n2c1=O
InChIInChI=1S/C19H19N3O2S/c23-17(21-14-9-5-2-6-10-14)15-11-20-19-22(18(15)24)16(12-25-19)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,21,23)
InChIKeyFOKWVFLSJPAEGY-UHFFFAOYSA-N
XLogP3.49
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.49
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-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4224151) is N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCCC1)c1cnc2scc(-c3ccccc3)n2c1=O.
What is the InChIKey of N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FOKWVFLSJPAEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-17(21-14-9-5-2-6-10-14)15-11-20-19-22(18(15)24)16(12-25-19)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,21,23).
What are the key properties of N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4224151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).