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

C15H15N3O2S — CID 3244968

IUPAC5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-10(11-5-3-2-4-6-11)17-13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-6,9-10H,7-8H2,1H3,(H,17,19)
InChIKeyWFMKQSRURUPTEW-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.84
Rot. Bonds3

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

5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3244968) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3244968
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-10(11-5-3-2-4-6-11)17-13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-6,9-10H,7-8H2,1H3,(H,17,19)
InChIKeyWFMKQSRURUPTEW-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3244968) is 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1.
What is the InChIKey of 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WFMKQSRURUPTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10(11-5-3-2-4-6-11)17-13(19)12-9-16-15-18(14(12)20)7-8-21-15/h2-6,9-10H,7-8H2,1H3,(H,17,19).
What are the key properties of 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1-phenylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3244968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).