N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H17N3O3S — CID 51275890

IUPACN-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(NC(=O)c1cnc2sccn2c1=O)c1ccc(OC)cc1
InChIInChI=1S/C17H17N3O3S/c1-3-14(11-4-6-12(23-2)7-5-11)19-15(21)13-10-18-17-20(16(13)22)8-9-24-17/h4-10,14H,3H2,1-2H3,(H,19,21)
InChIKeyPATOKGHJBJKAFM-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.65
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51275890) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51275890
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(NC(=O)c1cnc2sccn2c1=O)c1ccc(OC)cc1
InChIInChI=1S/C17H17N3O3S/c1-3-14(11-4-6-12(23-2)7-5-11)19-15(21)13-10-18-17-20(16(13)22)8-9-24-17/h4-10,14H,3H2,1-2H3,(H,19,21)
InChIKeyPATOKGHJBJKAFM-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43417879
N-[1-(4-ethylphenyl)-2-methylpropyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46513264
5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3300667
N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 46652048
(2R)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 107563516
N-(2,5-diethoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51253647
N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 97310627
N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179672
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 134051683
(2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 78975761
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51275890) is N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(NC(=O)c1cnc2sccn2c1=O)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PATOKGHJBJKAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-14(11-4-6-12(23-2)7-5-11)19-15(21)13-10-18-17-20(16(13)22)8-9-24-17/h4-10,14H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51275890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).