2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine

C18H19N3S — CID 11246275

IUPAC2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine
SMILESCc1cccc(-n2s/c(=N/C(C)C)nc2-c2ccccc2)c1
InChIInChI=1S/C18H19N3S/c1-13(2)19-18-20-17(15-9-5-4-6-10-15)21(22-18)16-11-7-8-14(3)12-16/h4-13H,1-3H3/b19-18+
InChIKeyUJARYCJUAIWCDI-VHEBQXMUSA-N
MW309.44 g/mol
LogP4.22
Rot. Bonds3

About 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine

2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine (PubChem CID 11246275) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine
PubChem CID11246275
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine
SMILESCc1cccc(-n2s/c(=N/C(C)C)nc2-c2ccccc2)c1
InChIInChI=1S/C18H19N3S/c1-13(2)19-18-20-17(15-9-5-4-6-10-15)21(22-18)16-11-7-8-14(3)12-16/h4-13H,1-3H3/b19-18+
InChIKeyUJARYCJUAIWCDI-VHEBQXMUSA-N
XLogP4.22
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-imine
CID 11258552
3-[[2-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-ylidene]amino]propan-1-ol
CID 11407091
N-butyl-2-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazol-5-imine;hydrobromide
CID 11338645
N-methyl-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-imine
CID 175441066
(NZ)-N-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-4-methylbenzenesulfonamide
CID 12686867
N-methyl-2,3-bis(4-methylphenyl)-1,2,4-thiadiazol-5-imine
CID 11173955
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
N-ethyl-2-phenyl-3-[3-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-5-imine
CID 175441034
1-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-3-phenylthiourea
CID 27162453
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
1-(3-methylphenyl)-5-phenyl-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692774

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine?
The IUPAC name of 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine (CID 11246275) is 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine is Cc1cccc(-n2s/c(=N/C(C)C)nc2-c2ccccc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine?
The InChIKey is UJARYCJUAIWCDI-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13(2)19-18-20-17(15-9-5-4-6-10-15)21(22-18)16-11-7-8-14(3)12-16/h4-13H,1-3H3/b19-18+.
What are the key properties of 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine?
2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine has a molecular weight of 309.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-phenyl-N-propan-2-yl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 11246275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).