N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C22H17N3O3S — CID 42793622

IUPACN-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(Cc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C22H17N3O3S/c26-20-18(13-23-22-24(20)10-11-29-22)21(27)25(16-7-2-1-3-8-16)14-17-12-15-6-4-5-9-19(15)28-17/h1-9,12-13H,10-11,14H2
InChIKeyJRDKUFSAAIONQE-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.94
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42793622) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42793622
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(c1cnc2n(c1=O)CCS2)N(Cc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C22H17N3O3S/c26-20-18(13-23-22-24(20)10-11-29-22)21(27)25(16-7-2-1-3-8-16)14-17-12-15-6-4-5-9-19(15)28-17/h1-9,12-13H,10-11,14H2
InChIKeyJRDKUFSAAIONQE-UHFFFAOYSA-N
XLogP3.94
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-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 N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42793622) is N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(c1cnc2n(c1=O)CCS2)N(Cc1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JRDKUFSAAIONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c26-20-18(13-23-22-24(20)10-11-29-22)21(27)25(16-7-2-1-3-8-16)14-17-12-15-6-4-5-9-19(15)28-17/h1-9,12-13H,10-11,14H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42793622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).