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

C11H18N4S — CID 136871794

IUPACN-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\Cc2ccnn2C)N1
InChIInChI=1S/C11H18N4S/c1-8(2)10-7-16-11(14-10)12-6-9-4-5-13-15(9)3/h4-5,8,10H,6-7H2,1-3H3,(H,12,14)
InChIKeyHKFLIUXIAGTFGO-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.64
Rot. Bonds3

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

N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871794) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871794
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\Cc2ccnn2C)N1
InChIInChI=1S/C11H18N4S/c1-8(2)10-7-16-11(14-10)12-6-9-4-5-13-15(9)3/h4-5,8,10H,6-7H2,1-3H3,(H,12,14)
InChIKeyHKFLIUXIAGTFGO-UHFFFAOYSA-N
XLogP1.64
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871639
4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136993116
4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135968720
N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871766
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136690752
N-[2-(2-methylpyrazol-3-yl)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747373
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871885
4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine
CID 136896936
4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine
CID 136871850
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
N-(2-phenoxyethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871727
4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
CID 136848122

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871794) is N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N\Cc2ccnn2C)N1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is HKFLIUXIAGTFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8(2)10-7-16-11(14-10)12-6-9-4-5-13-15(9)3/h4-5,8,10H,6-7H2,1-3H3,(H,12,14).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 238.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).