N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine

C12H20N4S — CID 136923727

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCCc1nn(C)cc1C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C12H20N4S/c1-5-10-9(7-16(4)15-10)6-13-11-14-12(2,3)8-17-11/h7H,5-6,8H2,1-4H3,(H,13,14)
InChIKeyHATPSQFBVPDKTA-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.95
Rot. Bonds3

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 136923727) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID136923727
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCCc1nn(C)cc1C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C12H20N4S/c1-5-10-9(7-16(4)15-10)6-13-11-14-12(2,3)8-17-11/h7H,5-6,8H2,1-4H3,(H,13,14)
InChIKeyHATPSQFBVPDKTA-UHFFFAOYSA-N
XLogP1.95
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 136923727) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is CCc1nn(C)cc1C/N=C1/NC(C)(C)CS1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is HATPSQFBVPDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-5-10-9(7-16(4)15-10)6-13-11-14-12(2,3)8-17-11/h7H,5-6,8H2,1-4H3,(H,13,14).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 252.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136923727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).