N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine

C13H15N5S — CID 135965124

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
SMILESCn1cnnc1C/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C13H15N5S/c1-18-9-15-17-12(18)7-14-13-16-11(8-19-13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,16)
InChIKeyZGBQQVZXWFEUES-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.75
Rot. Bonds3

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine (PubChem CID 135965124) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
PubChem CID135965124
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
SMILESCn1cnnc1C/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C13H15N5S/c1-18-9-15-17-12(18)7-14-13-16-11(8-19-13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,16)
InChIKeyZGBQQVZXWFEUES-UHFFFAOYSA-N
XLogP1.75
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136755362
N-[(2-methylcyclopentyl)methyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 136867439
N-(2-cyclopropylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 137002709
N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 135965221
4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
CID 135965275
2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
CID 135965211
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819639
4-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135965315
4,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazinan-2-imine
CID 137002762
N-(7-methyloctyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136701825
N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965234
N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136883428

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine (CID 135965124) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine is Cn1cnnc1C/N=C1/NC(c2ccccc2)CS1.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine?
The InChIKey is ZGBQQVZXWFEUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-18-9-15-17-12(18)7-14-13-16-11(8-19-13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,14,16).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine has a molecular weight of 273.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135965124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).