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

C16H15N3O2S — CID 5204342

IUPAC3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n12
InChIInChI=1S/C16H15N3O2S/c1-10-9-22-16-17-8-13(15(21)19(10)16)14(20)18-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20)
InChIKeyNMZMGSFXGCZTEL-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.56
Rot. Bonds3

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

3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 5204342) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID5204342
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n12
InChIInChI=1S/C16H15N3O2S/c1-10-9-22-16-17-8-13(15(21)19(10)16)14(20)18-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20)
InChIKeyNMZMGSFXGCZTEL-UHFFFAOYSA-N
XLogP2.56
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 5204342) is 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NMZMGSFXGCZTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-9-22-16-17-8-13(15(21)19(10)16)14(20)18-11(2)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20).
What are the key properties of 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5204342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).