N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine

C11H18N4S — CID 136923730

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
SMILESCc1nn(C)cc1C/N=C1/NC(C)CCS1
InChIInChI=1S/C11H18N4S/c1-8-4-5-16-11(13-8)12-6-10-7-15(3)14-9(10)2/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyKXDPPENTPMRLPH-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.70
Rot. Bonds2

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136923730) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
PubChem CID136923730
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
SMILESCc1nn(C)cc1C/N=C1/NC(C)CCS1
InChIInChI=1S/C11H18N4S/c1-8-4-5-16-11(13-8)12-6-10-7-15(3)14-9(10)2/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyKXDPPENTPMRLPH-UHFFFAOYSA-N
XLogP1.70
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine (CID 136923730) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine is Cc1nn(C)cc1C/N=C1/NC(C)CCS1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is KXDPPENTPMRLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-4-5-16-11(13-8)12-6-10-7-15(3)14-9(10)2/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 238.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136923730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).