4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine

C12H20N4S — CID 136848122

IUPAC4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCn2cccn2)N1
InChIInChI=1S/C12H20N4S/c1-10(2)11-4-9-17-12(15-11)13-6-8-16-7-3-5-14-16/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,13,15)
InChIKeyPJNYHJGRYGKIEG-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.99
Rot. Bonds4

About 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine

4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine (PubChem CID 136848122) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
PubChem CID136848122
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCn2cccn2)N1
InChIInChI=1S/C12H20N4S/c1-10(2)11-4-9-17-12(15-11)13-6-8-16-7-3-5-14-16/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,13,15)
InChIKeyPJNYHJGRYGKIEG-UHFFFAOYSA-N
XLogP1.99
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848320
4,5-dimethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948900
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
4-propan-2-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazinan-2-imine
CID 136848397
4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine
CID 136848574
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848336
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993373
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949409
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine (CID 136848122) is 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\CCn2cccn2)N1.
What is the InChIKey of 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine?
The InChIKey is PJNYHJGRYGKIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-10(2)11-4-9-17-12(15-11)13-6-8-16-7-3-5-14-16/h3,5,7,10-11H,4,6,8-9H2,1-2H3,(H,13,15).
What are the key properties of 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine?
4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine has a molecular weight of 252.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).