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

C15H15N3O2S — CID 3561054

IUPACN-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H15N3O2S/c1-2-10-5-3-4-6-12(10)17-13(19)11-9-16-15-18(14(11)20)7-8-21-15/h3-6,9H,2,7-8H2,1H3,(H,17,19)
InChIKeyJVDUQSGRSQBETL-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.16
Rot. Bonds3

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

N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3561054) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3561054
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H15N3O2S/c1-2-10-5-3-4-6-12(10)17-13(19)11-9-16-15-18(14(11)20)7-8-21-15/h3-6,9H,2,7-8H2,1H3,(H,17,19)
InChIKeyJVDUQSGRSQBETL-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3561054) is N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JVDUQSGRSQBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-10-5-3-4-6-12(10)17-13(19)11-9-16-15-18(14(11)20)7-8-21-15/h3-6,9H,2,7-8H2,1H3,(H,17,19).
What are the key properties of N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3561054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).