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

C13H15N3O3S — CID 51423702

IUPAC3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC[C@@H]3CCCO3)c(=O)n12
InChIInChI=1S/C13H15N3O3S/c1-8-7-20-13-15-6-10(12(18)16(8)13)11(17)14-5-9-3-2-4-19-9/h6-7,9H,2-5H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyZGXVBXUNNMKWJG-VIFPVBQESA-N
MW293.35 g/mol
LogP0.97
Rot. Bonds3

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

3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51423702) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51423702
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NC[C@@H]3CCCO3)c(=O)n12
InChIInChI=1S/C13H15N3O3S/c1-8-7-20-13-15-6-10(12(18)16(8)13)11(17)14-5-9-3-2-4-19-9/h6-7,9H,2-5H2,1H3,(H,14,17)/t9-/m0/s1
InChIKeyZGXVBXUNNMKWJG-VIFPVBQESA-N
XLogP0.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51423702) is 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NC[C@@H]3CCCO3)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ZGXVBXUNNMKWJG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-7-20-13-15-6-10(12(18)16(8)13)11(17)14-5-9-3-2-4-19-9/h6-7,9H,2-5H2,1H3,(H,14,17)/t9-/m0/s1.
What are the key properties of 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).