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

C13H22N4S — CID 136993116

IUPAC4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CCc2ccnn2C)N1
InChIInChI=1S/C13H22N4S/c1-10(2)8-11-9-18-13(16-11)14-6-4-12-5-7-15-17(12)3/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,16)
InChIKeyBHMXAXOXVNNCGT-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.07
Rot. Bonds5

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

4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine (PubChem CID 136993116) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine
PubChem CID136993116
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CCc2ccnn2C)N1
InChIInChI=1S/C13H22N4S/c1-10(2)8-11-9-18-13(16-11)14-6-4-12-5-7-15-17(12)3/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,16)
InChIKeyBHMXAXOXVNNCGT-UHFFFAOYSA-N
XLogP2.07
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.07
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-[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-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871794
3-(2-methylpropyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 103016164
N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136952014
N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136933149
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carbothioamide
CID 103002658
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine (CID 136993116) is 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine is CC(C)CC1CS/C(=N\CCc2ccnn2C)N1.
What is the InChIKey of 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine?
The InChIKey is BHMXAXOXVNNCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10(2)8-11-9-18-13(16-11)14-6-4-12-5-7-15-17(12)3/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,16).
What are the key properties of 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine?
4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine has a molecular weight of 266.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136993116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).