2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide

C13H18N4O2S — CID 9049544

IUPAC2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-9(2)14-11(18)8-16(3)7-10-6-12(19)17-4-5-20-13(17)15-10/h4-6,9H,7-8H2,1-3H3,(H,14,18)
InChIKeyLVFXMJKKYCLYRF-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.71
Rot. Bonds5

About 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide

2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 9049544) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID9049544
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-9(2)14-11(18)8-16(3)7-10-6-12(19)17-4-5-20-13(17)15-10/h4-6,9H,7-8H2,1-3H3,(H,14,18)
InChIKeyLVFXMJKKYCLYRF-UHFFFAOYSA-N
XLogP0.71
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide (CID 9049544) is 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is LVFXMJKKYCLYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(2)14-11(18)8-16(3)7-10-6-12(19)17-4-5-20-13(17)15-10/h4-6,9H,7-8H2,1-3H3,(H,14,18).
What are the key properties of 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 294.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9049544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).