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

C13H18N4O2S — CID 9433165

IUPACN-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-3-14-11(18)9-16(4-2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18)
InChIKeyGXWKSUFTAKACBH-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.71
Rot. Bonds6

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

N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 9433165) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
PubChem CID9433165
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-3-14-11(18)9-16(4-2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18)
InChIKeyGXWKSUFTAKACBH-UHFFFAOYSA-N
XLogP0.71
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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 N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 9433165) is N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is CCNC(=O)CN(CC)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The InChIKey is GXWKSUFTAKACBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-14-11(18)9-16(4-2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18).
What are the key properties of N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 294.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 9433165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).