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

C13H17N3O2S — CID 17248357

IUPAC2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NCC(C)C)c(=O)n2c1C
InChIInChI=1S/C13H17N3O2S/c1-7(2)5-14-11(17)10-6-15-13-16(12(10)18)8(3)9(4)19-13/h6-7H,5H2,1-4H3,(H,14,17)
InChIKeyLMYLOVBPYBGLQV-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.76
Rot. Bonds3

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

2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248357) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248357
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)NCC(C)C)c(=O)n2c1C
InChIInChI=1S/C13H17N3O2S/c1-7(2)5-14-11(17)10-6-15-13-16(12(10)18)8(3)9(4)19-13/h6-7H,5H2,1-4H3,(H,14,17)
InChIKeyLMYLOVBPYBGLQV-UHFFFAOYSA-N
XLogP1.76
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248357) is 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NCC(C)C)c(=O)n2c1C.
What is the InChIKey of 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LMYLOVBPYBGLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7(2)5-14-11(17)10-6-15-13-16(12(10)18)8(3)9(4)19-13/h6-7H,5H2,1-4H3,(H,14,17).
What are the key properties of 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).