4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine

C17H16N2S — CID 2798903

IUPAC4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine
SMILESCc1s/c(=N\c2ccccc2)n(-c2ccccc2)c1C
InChIInChI=1S/C17H16N2S/c1-13-14(2)20-17(18-15-9-5-3-6-10-15)19(13)16-11-7-4-8-12-16/h3-12H,1-2H3/b18-17-
InChIKeyRUCKOWVOYOVYNK-ZCXUNETKSA-N
MW280.40 g/mol
LogP4.39
Rot. Bonds2

About 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine

4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine (PubChem CID 2798903) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine
PubChem CID2798903
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine
SMILESCc1s/c(=N\c2ccccc2)n(-c2ccccc2)c1C
InChIInChI=1S/C17H16N2S/c1-13-14(2)20-17(18-15-9-5-3-6-10-15)19(13)16-11-7-4-8-12-16/h3-12H,1-2H3/b18-17-
InChIKeyRUCKOWVOYOVYNK-ZCXUNETKSA-N
XLogP4.39
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine 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

5-Methyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383595
Methyl n,n'-diphenylcarbamimidothioate
CID 221767
Flubenzimine
CID 91625
2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile
CID 383253
4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]benzene-1,4-diamine
CID 50940732
4(5H)-Thiazolone, 2-(diphenylamino)-
CID 90373
3,4,4,6-Tetramethyl-2-phenylimino-2,3-dihydro-4H-1,3-thiazine
CID 217153
N-(3-Phenyl-4,5-bis((trifluoromethyl)imino)-2-thiazolidinylidene)benzenamine
CID 6089962
4-Phenyl-5-(phenylimino)-1,2,4-dithiazolidine-3-thione
CID 205609
(3,4-Diphenyl-3H-thiazol-2-ylidene)-phenyl-amine
CID 725578
3-(4-Fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione
CID 383249
N-phenyl-5-methylene-1,3-thiazolidin-2-imine
CID 2783945

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine?
The IUPAC name of 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine (CID 2798903) is 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine is Cc1s/c(=N\c2ccccc2)n(-c2ccccc2)c1C.
What is the InChIKey of 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine?
The InChIKey is RUCKOWVOYOVYNK-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2S/c1-13-14(2)20-17(18-15-9-5-3-6-10-15)19(13)16-11-7-4-8-12-16/h3-12H,1-2H3/b18-17-.
What are the key properties of 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine?
4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine has a molecular weight of 280.40 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N,3-diphenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 2798903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).