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

C15H20N4O4S — CID 135853383

IUPAC7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCCN3CCOCC3)c(=O)n12
InChIInChI=1S/C15H20N4O4S/c1-10-9-24-15-17-13(21)11(14(22)19(10)15)12(20)16-3-2-4-18-5-7-23-8-6-18/h9,21H,2-8H2,1H3,(H,16,20)
InChIKeyXKNISJGZWRCVIB-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.22
Rot. Bonds5

About 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853383) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853383
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCCN3CCOCC3)c(=O)n12
InChIInChI=1S/C15H20N4O4S/c1-10-9-24-15-17-13(21)11(14(22)19(10)15)12(20)16-3-2-4-18-5-7-23-8-6-18/h9,21H,2-8H2,1H3,(H,16,20)
InChIKeyXKNISJGZWRCVIB-UHFFFAOYSA-N
XLogP0.22
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-N-(2-morpholinoethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853336
7-hydroxy-3-methyl-N-(2-morpholinoethyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853382
7-hydroxy-N-(2-hydroxypropyl)-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853348
N-[2-(dimethylamino)ethyl]-7-hydroxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853380
N-(2-(diethylamino)ethyl)-7-hydroxy-3-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853381
N-(2-methoxyethyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248323
3-Methyl-6-(morpholine-4-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 4405956
N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4429834
N-(1-Methoxypropan-2-YL)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 17248348
N-(2-hydroxyethyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 109983475
7-ethylsulfanyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469353
3-tert-butyl-N-(2-morpholin-4-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470487

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853383) is 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NCCCN3CCOCC3)c(=O)n12.
What is the InChIKey of 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XKNISJGZWRCVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-10-9-24-15-17-13(21)11(14(22)19(10)15)12(20)16-3-2-4-18-5-7-23-8-6-18/h9,21H,2-8H2,1H3,(H,16,20).
What are the key properties of 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-N-(3-morpholin-4-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).