3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H24N4OS — CID 144826048

IUPAC3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC=C(N)/C=C/c1c(C)sc2nc(CN(CC)C(=C)/C=C\C)cc(=O)n12
InChIInChI=1S/C19H24N4OS/c1-6-8-14(4)22(7-2)12-16-11-18(24)23-17(10-9-13(3)20)15(5)25-19(23)21-16/h6,8-11H,3-4,7,12,20H2,1-2,5H3/b8-6-,10-9+
InChIKeyOSCDOSZNUKJQDO-JWJWWGMXSA-N
MW356.50 g/mol
LogP3.46
Rot. Bonds7

About 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 144826048) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID144826048
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC=C(N)/C=C/c1c(C)sc2nc(CN(CC)C(=C)/C=C\C)cc(=O)n12
InChIInChI=1S/C19H24N4OS/c1-6-8-14(4)22(7-2)12-16-11-18(24)23-17(10-9-13(3)20)15(5)25-19(23)21-16/h6,8-11H,3-4,7,12,20H2,1-2,5H3/b8-6-,10-9+
InChIKeyOSCDOSZNUKJQDO-JWJWWGMXSA-N
XLogP3.46
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 144826048) is 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C=C(N)/C=C/c1c(C)sc2nc(CN(CC)C(=C)/C=C\C)cc(=O)n12.
What is the InChIKey of 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OSCDOSZNUKJQDO-JWJWWGMXSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-6-8-14(4)22(7-2)12-16-11-18(24)23-17(10-9-13(3)20)15(5)25-19(23)21-16/h6,8-11H,3-4,7,12,20H2,1-2,5H3/b8-6-,10-9+.
What are the key properties of 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 356.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-3-aminobuta-1,3-dienyl]-7-[[ethyl-[(3Z)-penta-1,3-dien-2-yl]amino]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 144826048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).