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

C17H17N3O2S — CID 7260711

IUPAC2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCCCc3ccccc3)cnc2s1
InChIInChI=1S/C17H17N3O2S/c1-12-11-20-16(22)14(10-19-17(20)23-12)15(21)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,21)
InChIKeySCQFTISIRXFWLB-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.43
Rot. Bonds5

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

2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 7260711) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID7260711
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NCCCc3ccccc3)cnc2s1
InChIInChI=1S/C17H17N3O2S/c1-12-11-20-16(22)14(10-19-17(20)23-12)15(21)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,21)
InChIKeySCQFTISIRXFWLB-UHFFFAOYSA-N
XLogP2.43
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.43
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 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 7260711) is 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NCCCc3ccccc3)cnc2s1.
What is the InChIKey of 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SCQFTISIRXFWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-11-20-16(22)14(10-19-17(20)23-12)15(21)18-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,18,21).
What are the key properties of 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-N-(3-phenylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 7260711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).