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

C13H21N3OS — CID 136848336

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCc1noc(C)c1C/N=C1/NC(C(C)C)CCS1
InChIInChI=1S/C13H21N3OS/c1-8(2)12-5-6-18-13(15-12)14-7-11-9(3)16-17-10(11)4/h8,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyFMROQMWJNJQCQD-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.90
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848336) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848336
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCc1noc(C)c1C/N=C1/NC(C(C)C)CCS1
InChIInChI=1S/C13H21N3OS/c1-8(2)12-5-6-18-13(15-12)14-7-11-9(3)16-17-10(11)4/h8,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyFMROQMWJNJQCQD-UHFFFAOYSA-N
XLogP2.90
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.90
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-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993350
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136747208
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757296
4-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136848338
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-pyrazol-1-ylethyl)-1,3-thiazinan-2-imine
CID 136848122
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993373
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 119120532
N-[2-(1-methylimidazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993355

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848336) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is Cc1noc(C)c1C/N=C1/NC(C(C)C)CCS1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is FMROQMWJNJQCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8(2)12-5-6-18-13(15-12)14-7-11-9(3)16-17-10(11)4/h8,12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 267.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).