2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide

C18H29N3O3S — CID 16868814

IUPAC2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21
InChIInChI=1S/C18H29N3O3S/c1-12(2)24-8-6-7-19-15(22)9-13-11-25-17-20-14(18(3,4)5)10-16(23)21(13)17/h10,12-13H,6-9,11H2,1-5H3,(H,19,22)
InChIKeyRUEMJXNBKLNOGK-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.51
Rot. Bonds7

About 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 16868814) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID16868814
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21
InChIInChI=1S/C18H29N3O3S/c1-12(2)24-8-6-7-19-15(22)9-13-11-25-17-20-14(18(3,4)5)10-16(23)21(13)17/h10,12-13H,6-9,11H2,1-5H3,(H,19,22)
InChIKeyRUEMJXNBKLNOGK-UHFFFAOYSA-N
XLogP2.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 16868814) is 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)CC1CSc2nc(C(C)(C)C)cc(=O)n21.
What is the InChIKey of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is RUEMJXNBKLNOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-12(2)24-8-6-7-19-15(22)9-13-11-25-17-20-14(18(3,4)5)10-16(23)21(13)17/h10,12-13H,6-9,11H2,1-5H3,(H,19,22).
What are the key properties of 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 367.52 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 16868814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).