7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H17N3OS — CID 2368692

IUPAC7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2ccsc2n1)c1cccc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-2-21(17-9-5-7-14-6-3-4-8-16(14)17)13-15-12-18(23)22-10-11-24-19(22)20-15/h3-12H,2,13H2,1H3
InChIKeyPHPAORORRJNKAU-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.94
Rot. Bonds4

About 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2368692) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2368692
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(Cc1cc(=O)n2ccsc2n1)c1cccc2ccccc12
InChIInChI=1S/C19H17N3OS/c1-2-21(17-9-5-7-14-6-3-4-8-16(14)17)13-15-12-18(23)22-10-11-24-19(22)20-15/h3-12H,2,13H2,1H3
InChIKeyPHPAORORRJNKAU-UHFFFAOYSA-N
XLogP3.94
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2368692) is 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCN(Cc1cc(=O)n2ccsc2n1)c1cccc2ccccc12.
What is the InChIKey of 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PHPAORORRJNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-2-21(17-9-5-7-14-6-3-4-8-16(14)17)13-15-12-18(23)22-10-11-24-19(22)20-15/h3-12H,2,13H2,1H3.
What are the key properties of 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 335.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2368692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).