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

C10H16N4S — CID 135968720

IUPAC4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCn1nccc1C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C10H16N4S/c1-10(2)7-15-9(13-10)11-6-8-4-5-12-14(8)3/h4-5H,6-7H2,1-3H3,(H,11,13)
InChIKeyJTWXRSOGCBABJO-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.39
Rot. Bonds2

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

4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 135968720) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
PubChem CID135968720
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCn1nccc1C/N=C1/NC(C)(C)CS1
InChIInChI=1S/C10H16N4S/c1-10(2)7-15-9(13-10)11-6-8-4-5-12-14(8)3/h4-5H,6-7H2,1-3H3,(H,11,13)
InChIKeyJTWXRSOGCBABJO-UHFFFAOYSA-N
XLogP1.39
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.39
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

4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 136703330
N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871794
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135938406
4,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidin-2-imine
CID 135934636
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934567
N-[2-(2-methylpyrazol-3-yl)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747373
4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine
CID 137011012
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934558
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-(iodomethyl)-1-methylpyrazole
CID 126698907
4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136993116
N',2,2-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 109488997

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine (CID 135968720) is 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine is Cn1nccc1C/N=C1/NC(C)(C)CS1.
What is the InChIKey of 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is JTWXRSOGCBABJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-10(2)7-15-9(13-10)11-6-8-4-5-12-14(8)3/h4-5H,6-7H2,1-3H3,(H,11,13).
What are the key properties of 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 224.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135968720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).