[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone

C24H24Cl2N4OS — CID 2475888

IUPAC[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone
SMILESCc1ccc(/N=C2\SCCCN2C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1Cl
InChIInChI=1S/C24H24Cl2N4OS/c1-15-9-10-19(13-21(15)26)27-24-29(11-6-12-32-24)23(31)22-16(2)28-30(17(22)3)14-18-7-4-5-8-20(18)25/h4-5,7-10,13H,6,11-12,14H2,1-3H3/b27-24-
InChIKeyWATRQNUIRLMBJP-PNHLSOANSA-N
MW487.46 g/mol
LogP6.43
Rot. Bonds4

About [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone

[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone (PubChem CID 2475888) has the molecular formula C24H24Cl2N4OS and a molecular weight of 487.46 g/mol. Its IUPAC name is [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone
PubChem CID2475888
Molecular FormulaC24H24Cl2N4OS
Molecular Weight487.46 g/mol
Exact Mass486.10
IUPAC Name[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone
SMILESCc1ccc(/N=C2\SCCCN2C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1Cl
InChIInChI=1S/C24H24Cl2N4OS/c1-15-9-10-19(13-21(15)26)27-24-29(11-6-12-32-24)23(31)22-16(2)28-30(17(22)3)14-18-7-4-5-8-20(18)25/h4-5,7-10,13H,6,11-12,14H2,1-3H3/b27-24-
InChIKeyWATRQNUIRLMBJP-PNHLSOANSA-N
XLogP6.43
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.46
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone 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 [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone?
The IUPAC name of [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone (CID 2475888) is [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone.
What is the SMILES notation for [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone?
The canonical SMILES for [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone is Cc1ccc(/N=C2\SCCCN2C(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone?
The InChIKey is WATRQNUIRLMBJP-PNHLSOANSA-N. The full InChI is InChI=1S/C24H24Cl2N4OS/c1-15-9-10-19(13-21(15)26)27-24-29(11-6-12-32-24)23(31)22-16(2)28-30(17(22)3)14-18-7-4-5-8-20(18)25/h4-5,7-10,13H,6,11-12,14H2,1-3H3/b27-24-.
What are the key properties of [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone?
[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone has a molecular weight of 487.46 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanone is sourced from PubChem (CID 2475888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).