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

C15H22N4O2S — CID 8795367

IUPACN-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H22N4O2S/c1-5-18(10-12(20)17-15(2,3)4)9-11-8-13(21)19-6-7-22-14(19)16-11/h6-8H,5,9-10H2,1-4H3,(H,17,20)
InChIKeyMAJKAALQHKNEJI-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.49
Rot. Bonds5

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

N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 8795367) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
PubChem CID8795367
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H22N4O2S/c1-5-18(10-12(20)17-15(2,3)4)9-11-8-13(21)19-6-7-22-14(19)16-11/h6-8H,5,9-10H2,1-4H3,(H,17,20)
InChIKeyMAJKAALQHKNEJI-UHFFFAOYSA-N
XLogP1.49
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 8795367) is N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The InChIKey is MAJKAALQHKNEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-5-18(10-12(20)17-15(2,3)4)9-11-8-13(21)19-6-7-22-14(19)16-11/h6-8H,5,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 322.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 8795367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).