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

C19H15N3O2S — CID 51179672

IUPACN-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2sccn2c1=O)c1cccc2ccccc12
InChIInChI=1S/C19H15N3O2S/c1-12(14-8-4-6-13-5-2-3-7-15(13)14)21-17(23)16-11-20-19-22(18(16)24)9-10-25-19/h2-12H,1H3,(H,21,23)
InChIKeyFIYQBROKMIRGQA-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.40
Rot. Bonds3

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

N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51179672) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51179672
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(NC(=O)c1cnc2sccn2c1=O)c1cccc2ccccc12
InChIInChI=1S/C19H15N3O2S/c1-12(14-8-4-6-13-5-2-3-7-15(13)14)21-17(23)16-11-20-19-22(18(16)24)9-10-25-19/h2-12H,1H3,(H,21,23)
InChIKeyFIYQBROKMIRGQA-UHFFFAOYSA-N
XLogP3.40
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3300667
N-[1-(4-ethylphenyl)-2-methylpropyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46513264
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
(2R)-4-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 78975761
N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 43417879
N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 119588050
(2R)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 107563516
N-[1-(4-methoxyphenyl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51275890
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86860599
N'-(4-ethoxybenzoyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbohydrazide
CID 46652048
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51179672) is N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(NC(=O)c1cnc2sccn2c1=O)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FIYQBROKMIRGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-12(14-8-4-6-13-5-2-3-7-15(13)14)21-17(23)16-11-20-19-22(18(16)24)9-10-25-19/h2-12H,1H3,(H,21,23).
What are the key properties of N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51179672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).