2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one

C23H20N4OS — CID 177414368

IUPAC2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one
SMILESC=CCn1c(=O)c(-c2ccccc2)c(-c2ccccc2)s/c1=N\c1cc(C)[nH]n1
InChIInChI=1S/C23H20N4OS/c1-3-14-27-22(28)20(17-10-6-4-7-11-17)21(18-12-8-5-9-13-18)29-23(27)24-19-15-16(2)25-26-19/h3-13,15H,1,14H2,2H3,(H,25,26)/b24-23-
InChIKeyVEBDTGWYQDFYGF-VHXPQNKSSA-N
MW400.51 g/mol
LogP4.69
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one

2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one (PubChem CID 177414368) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one
PubChem CID177414368
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one
SMILESC=CCn1c(=O)c(-c2ccccc2)c(-c2ccccc2)s/c1=N\c1cc(C)[nH]n1
InChIInChI=1S/C23H20N4OS/c1-3-14-27-22(28)20(17-10-6-4-7-11-17)21(18-12-8-5-9-13-18)29-23(27)24-19-15-16(2)25-26-19/h3-13,15H,1,14H2,2H3,(H,25,26)/b24-23-
InChIKeyVEBDTGWYQDFYGF-VHXPQNKSSA-N
XLogP4.69
TPSA63.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 139219010
5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
CID 142016794
3-benzyl-N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-1,3-thiazol-2-imine
CID 139219009
N-(4-methylphenyl)-4-(4-methylsulfanylphenyl)-5-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine bromide
CID 21203718
N-[5-(4-fluorophenyl)-4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 72581892
N-(4,5-diphenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 72581893
3-[(5-methyl-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenol
CID 2131748
N,N-dimethyl-2-(5-methyl-4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 8673103
7-methyl-3-phenyl-1-phenylimino-5H-[1,3]thiazolo[3,4-a]quinoxalin-4-one
CID 102071071
2,5-dimethyl-3-phenyl-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 4897063
4-phenyl-3-prop-2-enyl-N-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
CID 5167345
N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43943231

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one (CID 177414368) is 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one is C=CCn1c(=O)c(-c2ccccc2)c(-c2ccccc2)s/c1=N\c1cc(C)[nH]n1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one?
The InChIKey is VEBDTGWYQDFYGF-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-3-14-27-22(28)20(17-10-6-4-7-11-17)21(18-12-8-5-9-13-18)29-23(27)24-19-15-16(2)25-26-19/h3-13,15H,1,14H2,2H3,(H,25,26)/b24-23-.
What are the key properties of 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one?
2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one has a molecular weight of 400.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-3-yl)imino]-5,6-diphenyl-3-prop-2-enyl-1,3-thiazin-4-one is sourced from PubChem (CID 177414368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).