4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane

C11H19N3S — CID 66234913

IUPAC4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane
SMILESCCCn1cncc1C1NC(C)CCS1
InChIInChI=1S/C11H19N3S/c1-3-5-14-8-12-7-10(14)11-13-9(2)4-6-15-11/h7-9,11,13H,3-6H2,1-2H3
InChIKeyBDGNBPMYFADCID-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane

4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane (PubChem CID 66234913) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane.

Molecular Properties

Compound Name4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane
PubChem CID66234913
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane
SMILESCCCn1cncc1C1NC(C)CCS1
InChIInChI=1S/C11H19N3S/c1-3-5-14-8-12-7-10(14)11-13-9(2)4-6-15-11/h7-9,11,13H,3-6H2,1-2H3
InChIKeyBDGNBPMYFADCID-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazolidine
CID 66218656
4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
CID 131111057
5-(oxiran-2-yl)-1-propylimidazole
CID 66130060
5-(2,2-dimethylpyrrolidin-3-yl)-1-propylimidazole
CID 66130852
5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole
CID 66131789
2-(3-propylimidazol-4-yl)oxan-4-ol
CID 66129854
4-methyl-2-(2-propylpyrazol-3-yl)-1,3-thiazolidine
CID 114557246
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
5-(3-propylimidazol-4-yl)oxolan-2-one
CID 103439721
3-ethyl-4-(3-propylimidazol-4-yl)piperidine-2,6-dione
CID 79320574
2-[3-[2-(5-bromothiophen-2-yl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 106041251
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane?
The IUPAC name of 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane (CID 66234913) is 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane.
What is the SMILES notation for 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane?
The canonical SMILES for 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane is CCCn1cncc1C1NC(C)CCS1.
What is the InChIKey of 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane?
The InChIKey is BDGNBPMYFADCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-5-14-8-12-7-10(14)11-13-9(2)4-6-15-11/h7-9,11,13H,3-6H2,1-2H3.
What are the key properties of 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane?
4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane has a molecular weight of 225.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazinane is sourced from PubChem (CID 66234913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).