N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

C14H11Cl2N3S2 — CID 135794929

IUPACN-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCc1ccc(C2=NN/C(=N/c3ccc(Cl)cc3Cl)SC2)s1
InChIInChI=1S/C14H11Cl2N3S2/c1-8-2-5-13(21-8)12-7-20-14(19-18-12)17-11-4-3-9(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,19)
InChIKeyODYRDFQHIMEVGY-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.09
Rot. Bonds2

About N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135794929) has the molecular formula C14H11Cl2N3S2 and a molecular weight of 356.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135794929
Molecular FormulaC14H11Cl2N3S2
Molecular Weight356.30 g/mol
Exact Mass354.98
IUPAC NameN-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCc1ccc(C2=NN/C(=N/c3ccc(Cl)cc3Cl)SC2)s1
InChIInChI=1S/C14H11Cl2N3S2/c1-8-2-5-13(21-8)12-7-20-14(19-18-12)17-11-4-3-9(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,19)
InChIKeyODYRDFQHIMEVGY-UHFFFAOYSA-N
XLogP5.09
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_L(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-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

N-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135531819
N-(2,4-dichlorophenyl)-5-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135954950
5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135800629
5-(3,4-dichlorophenyl)-N-(2,4-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135774952
3-[3-[2-(2,4-dichlorophenyl)imino-3,6-dihydro-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile
CID 135591401
5-(2,4-dichlorophenyl)-N-ethyl-3,6-dihydro-1,3,4-thiadiazin-2-imine;hydrochloride
CID 135800628
N-(4-chlorophenyl)-5-(2,5-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135672847
N-(2-chlorophenyl)-5-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135927441
N,5-bis(4-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135441002
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
5-(4-chlorophenyl)-N-cyclopentyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135529253
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135840292

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135794929) is N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is Cc1ccc(C2=NN/C(=N/c3ccc(Cl)cc3Cl)SC2)s1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is ODYRDFQHIMEVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S2/c1-8-2-5-13(21-8)12-7-20-14(19-18-12)17-11-4-3-9(15)6-10(11)16/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 356.30 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135794929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).