6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide

C14H18BrClN2OS — CID 3057264

IUPAC6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide
SMILESBr.CCC1C(=O)N(C)/C(=N/C)SC1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS.BrH/c1-4-11-12(9-5-7-10(15)8-6-9)19-14(16-2)17(3)13(11)18;/h5-8,11-12H,4H2,1-3H3;1H/b16-14-;
InChIKeyAQRGHVQFJNZXOZ-ULQCMBKMSA-N
MW377.74 g/mol
LogP4.18
Rot. Bonds2

About 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide

6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide (PubChem CID 3057264) has the molecular formula C14H18BrClN2OS and a molecular weight of 377.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide
PubChem CID3057264
Molecular FormulaC14H18BrClN2OS
Molecular Weight377.74 g/mol
Exact Mass376.00
IUPAC Name6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide
SMILESBr.CCC1C(=O)N(C)/C(=N/C)SC1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2OS.BrH/c1-4-11-12(9-5-7-10(15)8-6-9)19-14(16-2)17(3)13(11)18;/h5-8,11-12H,4H2,1-3H3;1H/b16-14-;
InChIKeyAQRGHVQFJNZXOZ-ULQCMBKMSA-N
XLogP4.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.74
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 139248792
6-(4-Chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one
CID 3057265
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CID 7225377
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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide?
The IUPAC name of 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide (CID 3057264) is 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide.
What is the SMILES notation for 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide?
The canonical SMILES for 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide is Br.CCC1C(=O)N(C)/C(=N/C)SC1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide?
The InChIKey is AQRGHVQFJNZXOZ-ULQCMBKMSA-N. The full InChI is InChI=1S/C14H17ClN2OS.BrH/c1-4-11-12(9-5-7-10(15)8-6-9)19-14(16-2)17(3)13(11)18;/h5-8,11-12H,4H2,1-3H3;1H/b16-14-;.
What are the key properties of 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide?
6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide has a molecular weight of 377.74 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one;hydrobromide is sourced from PubChem (CID 3057264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).