7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O2S — CID 126470297

IUPAC7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)N(C)C(C)C
InChIInChI=1S/C13H17N3O2S/c1-5-9-10(11(17)15(4)8(2)3)12(18)16-6-7-19-13(16)14-9/h6-8H,5H2,1-4H3
InChIKeyIYEIFZYWDCSEOH-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.80
Rot. Bonds3

About 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470297) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470297
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1nc2sccn2c(=O)c1C(=O)N(C)C(C)C
InChIInChI=1S/C13H17N3O2S/c1-5-9-10(11(17)15(4)8(2)3)12(18)16-6-7-19-13(16)14-9/h6-8H,5H2,1-4H3
InChIKeyIYEIFZYWDCSEOH-UHFFFAOYSA-N
XLogP1.80
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470297) is 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1nc2sccn2c(=O)c1C(=O)N(C)C(C)C.
What is the InChIKey of 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IYEIFZYWDCSEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-5-9-10(11(17)15(4)8(2)3)12(18)16-6-7-19-13(16)14-9/h6-8H,5H2,1-4H3.
What are the key properties of 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).