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

C17H17N3O3S — CID 135853372

IUPAC7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCCc3ccccc3)c(=O)n12
InChIInChI=1S/C17H17N3O3S/c1-11-10-24-17-19-15(22)13(16(23)20(11)17)14(21)18-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10,22H,5,8-9H2,1H3,(H,18,21)
InChIKeyVDCSZLSNSOPMNQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.13
Rot. Bonds5

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

7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135853372) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135853372
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2nc(O)c(C(=O)NCCCc3ccccc3)c(=O)n12
InChIInChI=1S/C17H17N3O3S/c1-11-10-24-17-19-15(22)13(16(23)20(11)17)14(21)18-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10,22H,5,8-9H2,1H3,(H,18,21)
InChIKeyVDCSZLSNSOPMNQ-UHFFFAOYSA-N
XLogP2.13
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
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 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135853372) is 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2nc(O)c(C(=O)NCCCc3ccccc3)c(=O)n12.
What is the InChIKey of 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VDCSZLSNSOPMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-10-24-17-19-15(22)13(16(23)20(11)17)14(21)18-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10,22H,5,8-9H2,1H3,(H,18,21).
What are the key properties of 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135853372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).