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

C14H19N3O4S — CID 135853345

IUPAC7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCCOC(C)C)c(=O)n12
InChIInChI=1S/C14H19N3O4S/c1-8(2)21-6-4-5-15-11(18)10-12(19)16-14-17(13(10)20)9(3)7-22-14/h7-8,19H,4-6H2,1-3H3,(H,15,18)
InChIKeyISRUCPJVMOVQGW-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.31
Rot. Bonds6

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

7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853345) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853345
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCCOC(C)C)c(=O)n12
InChIInChI=1S/C14H19N3O4S/c1-8(2)21-6-4-5-15-11(18)10-12(19)16-14-17(13(10)20)9(3)7-22-14/h7-8,19H,4-6H2,1-3H3,(H,15,18)
InChIKeyISRUCPJVMOVQGW-UHFFFAOYSA-N
XLogP1.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
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 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853345) is 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NCCCOC(C)C)c(=O)n12.
What is the InChIKey of 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ISRUCPJVMOVQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-8(2)21-6-4-5-15-11(18)10-12(19)16-14-17(13(10)20)9(3)7-22-14/h7-8,19H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-5-oxo-N-(3-propan-2-yloxypropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).