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

C13H22N4S — CID 136949279

IUPAC(4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCCc1nn(C)cc1C/N=C1/N[C@@H](C(C)C)CS1
InChIInChI=1S/C13H22N4S/c1-5-11-10(7-17(4)16-11)6-14-13-15-12(8-18-13)9(2)3/h7,9,12H,5-6,8H2,1-4H3,(H,14,15)/t12-/m1/s1
InChIKeyVUWVUBCITRIDML-GFCCVEGCSA-N
MW266.41 g/mol
LogP2.20
Rot. Bonds4

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

(4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136949279) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136949279
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name(4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCCc1nn(C)cc1C/N=C1/N[C@@H](C(C)C)CS1
InChIInChI=1S/C13H22N4S/c1-5-11-10(7-17(4)16-11)6-14-13-15-12(8-18-13)9(2)3/h7,9,12H,5-6,8H2,1-4H3,(H,14,15)/t12-/m1/s1
InChIKeyVUWVUBCITRIDML-GFCCVEGCSA-N
XLogP2.20
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.20
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
4-tert-butyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136848400
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 136923727
N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871731
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
CID 136923730
N'-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanimidamide
CID 112672029
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871885
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136666952
N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871672
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871806
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136762665

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136949279) is (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is CCc1nn(C)cc1C/N=C1/N[C@@H](C(C)C)CS1.
What is the InChIKey of (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is VUWVUBCITRIDML-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N4S/c1-5-11-10(7-17(4)16-11)6-14-13-15-12(8-18-13)9(2)3/h7,9,12H,5-6,8H2,1-4H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
(4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 266.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136949279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).