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'}

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948888
(4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949279
4-tert-butyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136848400
4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135968720
N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide
CID 112672029
4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine
CID 137011012
4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 136703330
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135938406
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
CID 112549466
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
CID 136923730
4-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136757180
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
CID 112668397

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).