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

C21H20N4O2S — CID 118017917

IUPAC7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3C3CC3)cc(=O)n12
InChIInChI=1S/C21H20N4O2S/c1-3-23-20(27)19-12(2)28-21-24-16(10-18(26)25(19)21)9-15-8-13(11-22)4-7-17(15)14-5-6-14/h4,7-8,10,14H,3,5-6,9H2,1-2H3,(H,23,27)
InChIKeyUVDUHADZLZCIGC-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.15
Rot. Bonds5

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

7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118017917) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118017917
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3C3CC3)cc(=O)n12
InChIInChI=1S/C21H20N4O2S/c1-3-23-20(27)19-12(2)28-21-24-16(10-18(26)25(19)21)9-15-8-13(11-22)4-7-17(15)14-5-6-14/h4,7-8,10,14H,3,5-6,9H2,1-2H3,(H,23,27)
InChIKeyUVDUHADZLZCIGC-UHFFFAOYSA-N
XLogP3.15
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118017917) is 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(Cc3cc(C#N)ccc3C3CC3)cc(=O)n12.
What is the InChIKey of 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is UVDUHADZLZCIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-23-20(27)19-12(2)28-21-24-16(10-18(26)25(19)21)9-15-8-13(11-22)4-7-17(15)14-5-6-14/h4,7-8,10,14H,3,5-6,9H2,1-2H3,(H,23,27).
What are the key properties of 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-cyano-2-cyclopropylphenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118017917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).