7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H19N3OS — CID 4782338

IUPAC7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC=CCN(CC=C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H19N3OS/c1-3-10-21(11-4-2)13-16-12-18(23)22-17(14-24-19(22)20-16)15-8-6-5-7-9-15/h3-9,12,14H,1-2,10-11,13H2
InChIKeyHDCNGYKPTWTGMT-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.60
Rot. Bonds7

About 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4782338) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4782338
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC=CCN(CC=C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H19N3OS/c1-3-10-21(11-4-2)13-16-12-18(23)22-17(14-24-19(22)20-16)15-8-6-5-7-9-15/h3-9,12,14H,1-2,10-11,13H2
InChIKeyHDCNGYKPTWTGMT-UHFFFAOYSA-N
XLogP3.60
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4782338) is 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C=CCN(CC=C)Cc1cc(=O)n2c(-c3ccccc3)csc2n1.
What is the InChIKey of 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HDCNGYKPTWTGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-10-21(11-4-2)13-16-12-18(23)22-17(14-24-19(22)20-16)15-8-6-5-7-9-15/h3-9,12,14H,1-2,10-11,13H2.
What are the key properties of 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 337.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4782338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).