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

C18H17N3O3S — CID 126470182

IUPAC3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O
InChIInChI=1S/C18H17N3O3S/c1-4-8-20(2)16(22)14-10-19-18-21(17(14)23)15(11-25-18)12-6-5-7-13(9-12)24-3/h4-7,9-11H,1,8H2,2-3H3
InChIKeyIZHKDCIWBIFQRG-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.69
Rot. Bonds5

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

3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470182) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470182
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O
InChIInChI=1S/C18H17N3O3S/c1-4-8-20(2)16(22)14-10-19-18-21(17(14)23)15(11-25-18)12-6-5-7-13(9-12)24-3/h4-7,9-11H,1,8H2,2-3H3
InChIKeyIZHKDCIWBIFQRG-UHFFFAOYSA-N
XLogP2.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469254
3-(3-methoxyphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470688
3-ethyl-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470732
N-(3-methoxyphenyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3341720
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248659
N-ethyl-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469295
N-(2,2-dimethylpropyl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470670
N-(4-methoxyphenyl)-3-(4-methylphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248607
methyl 4,5-dimethoxy-2-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]benzoate
CID 17248499
N-[(4-methoxyphenyl)methyl]-N,2,3-trimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99821404
2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768004
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470182) is 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is C=CCN(C)C(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O.
What is the InChIKey of 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is IZHKDCIWBIFQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-4-8-20(2)16(22)14-10-19-18-21(17(14)23)15(11-25-18)12-6-5-7-13(9-12)24-3/h4-7,9-11H,1,8H2,2-3H3.
What are the key properties of 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-methyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).