N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine

C11H18N4OS — CID 136992670

IUPACN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
SMILESCOc1cc(C/N=C2/NC(C)CCS2)nn1C
InChIInChI=1S/C11H18N4OS/c1-8-4-5-17-11(13-8)12-7-9-6-10(16-3)15(2)14-9/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyMQHWBVXFQGNDJD-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.40
Rot. Bonds3

About N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine

N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136992670) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
PubChem CID136992670
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
SMILESCOc1cc(C/N=C2/NC(C)CCS2)nn1C
InChIInChI=1S/C11H18N4OS/c1-8-4-5-17-11(13-8)12-7-9-6-10(16-3)15(2)14-9/h6,8H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyMQHWBVXFQGNDJD-UHFFFAOYSA-N
XLogP1.40
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazinan-2-imine
CID 136923730
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
N-(2-methoxy-2-methylpropyl)-4-methyl-1,3-thiazinan-2-imine
CID 136817004
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 114255453
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 114255877
4,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136755362
4-methyl-N-[(1-methylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136852292
(3R)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 114255871
4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 137010916
4-tert-butyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136848400
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
CID 114256149

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine (CID 136992670) is N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine is COc1cc(C/N=C2/NC(C)CCS2)nn1C.
What is the InChIKey of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is MQHWBVXFQGNDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-4-5-17-11(13-8)12-7-9-6-10(16-3)15(2)14-9/h6,8H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine?
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 254.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136992670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).