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

C11H18N4OS — CID 136993350

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCc1noc(C/N=C2/NC(C(C)C)CCS2)n1
InChIInChI=1S/C11H18N4OS/c1-7(2)9-4-5-17-11(14-9)12-6-10-13-8(3)15-16-10/h7,9H,4-6H2,1-3H3,(H,12,14)
InChIKeyZYSKTBDJZXQUHX-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.99
Rot. Bonds3

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136993350) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136993350
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCc1noc(C/N=C2/NC(C(C)C)CCS2)n1
InChIInChI=1S/C11H18N4OS/c1-7(2)9-4-5-17-11(14-9)12-6-10-13-8(3)15-16-10/h7,9H,4-6H2,1-3H3,(H,12,14)
InChIKeyZYSKTBDJZXQUHX-UHFFFAOYSA-N
XLogP1.99
TPSA63.31 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 ≤ 51.99
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848336
4,6-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazinan-2-imine
CID 136755340
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993437
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136690752
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136902075
4-propan-2-yl-N-(2-pyridin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136848100
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993373
4-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazinan-2-imine
CID 136848013
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598
4-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
CID 136848122

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136993350) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is Cc1noc(C/N=C2/NC(C(C)C)CCS2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is ZYSKTBDJZXQUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7(2)9-4-5-17-11(14-9)12-6-10-13-8(3)15-16-10/h7,9H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 254.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).