7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C18H16N4O2S — CID 118017736

IUPAC7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3)cc(=O)n12
InChIInChI=1S/C18H16N4O2S/c1-3-20-17(24)16-11(2)25-18-21-14(9-15(23)22(16)18)8-12-5-4-6-13(7-12)10-19/h4-7,9H,3,8H2,1-2H3,(H,20,24)
InChIKeyOAABRTSOIPXXHO-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.28
Rot. Bonds4

About 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118017736) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118017736
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3)cc(=O)n12
InChIInChI=1S/C18H16N4O2S/c1-3-20-17(24)16-11(2)25-18-21-14(9-15(23)22(16)18)8-12-5-4-6-13(7-12)10-19/h4-7,9H,3,8H2,1-2H3,(H,20,24)
InChIKeyOAABRTSOIPXXHO-UHFFFAOYSA-N
XLogP2.28
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118017736) is 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3)cc(=O)n12.
What is the InChIKey of 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is OAABRTSOIPXXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-3-20-17(24)16-11(2)25-18-21-14(9-15(23)22(16)18)8-12-5-4-6-13(7-12)10-19/h4-7,9H,3,8H2,1-2H3,(H,20,24).
What are the key properties of 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-cyanophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118017736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).