3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide

C17H17N3O3S — CID 16933458

IUPAC3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c(C)nc3sccn3c2=O)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-15(16(22)20-9-10-24-17(20)18-11)19-14(21)8-5-12-3-6-13(23-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,21)
InChIKeyXKYQFQWZLHAXRX-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.64
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide

3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (PubChem CID 16933458) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
PubChem CID16933458
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2c(C)nc3sccn3c2=O)cc1
InChIInChI=1S/C17H17N3O3S/c1-11-15(16(22)20-9-10-24-17(20)18-11)19-14(21)8-5-12-3-6-13(23-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,21)
InChIKeyXKYQFQWZLHAXRX-UHFFFAOYSA-N
XLogP2.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 134712526
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide
CID 16933450
3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
CID 71682528
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 1497145
3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737936
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812
3-(4-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190532
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-3-(4-methoxyphenyl)propanamide
CID 123305709
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25274560
3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911494

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (CID 16933458) is 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is COc1ccc(CCC(=O)Nc2c(C)nc3sccn3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The InChIKey is XKYQFQWZLHAXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-15(16(22)20-9-10-24-17(20)18-11)19-14(21)8-5-12-3-6-13(23-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 16933458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).