N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H18N4O3S — CID 17248314

IUPACN-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H18N4O3S/c19-12(15-2-1-3-17-4-7-21-8-5-17)11-10-16-14-18(13(11)20)6-9-22-14/h6,9-10H,1-5,7-8H2,(H,15,19)
InChIKeyOMKFQBGBWJVVBZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.21
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 17248314) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID17248314
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H18N4O3S/c19-12(15-2-1-3-17-4-7-21-8-5-17)11-10-16-14-18(13(11)20)6-9-22-14/h6,9-10H,1-5,7-8H2,(H,15,19)
InChIKeyOMKFQBGBWJVVBZ-UHFFFAOYSA-N
XLogP0.21
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 17248314) is N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCCCN1CCOCC1)c1cnc2sccn2c1=O.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OMKFQBGBWJVVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c19-12(15-2-1-3-17-4-7-21-8-5-17)11-10-16-14-18(13(11)20)6-9-22-14/h6,9-10H,1-5,7-8H2,(H,15,19).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 17248314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).