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

C19H31N3O2S — CID 16868752

IUPACN-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCCCCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C19H31N3O2S/c1-4-5-6-7-8-9-10-20-17(23)11-15-13-25-19-21-16(14(2)3)12-18(24)22(15)19/h12,14-15H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyTZRLZBBWQLDQHH-UHFFFAOYSA-N
MW365.54 g/mol
LogP3.88
Rot. Bonds10

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

N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868752) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868752
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC NameN-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCCCCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21
InChIInChI=1S/C19H31N3O2S/c1-4-5-6-7-8-9-10-20-17(23)11-15-13-25-19-21-16(14(2)3)12-18(24)22(15)19/h12,14-15H,4-11,13H2,1-3H3,(H,20,23)
InChIKeyTZRLZBBWQLDQHH-UHFFFAOYSA-N
XLogP3.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868752) is N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCCCCCCCNC(=O)CC1CSc2nc(C(C)C)cc(=O)n21.
What is the InChIKey of N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is TZRLZBBWQLDQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-4-5-6-7-8-9-10-20-17(23)11-15-13-25-19-21-16(14(2)3)12-18(24)22(15)19/h12,14-15H,4-11,13H2,1-3H3,(H,20,23).
What are the key properties of N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 365.54 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).