N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine

C18H26N3OS+ — CID 2730127

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine
SMILESCC[n+]1c(C)csc1Nc1ccc(N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H25N3OS/c1-5-21-13(2)12-23-18(21)19-16-6-8-17(9-7-16)20-10-14(3)22-15(4)11-20/h6-9,12,14-15H,5,10-11H2,1-4H3/p+1
InChIKeyKTLNWZQHGPTYBE-UHFFFAOYSA-O
MW332.49 g/mol
LogP3.72
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine (PubChem CID 2730127) has the molecular formula C18H26N3OS+ and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine
PubChem CID2730127
Molecular FormulaC18H26N3OS+
Molecular Weight332.49 g/mol
Exact Mass332.18
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine
SMILESCC[n+]1c(C)csc1Nc1ccc(N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C18H25N3OS/c1-5-21-13(2)12-23-18(21)19-16-6-8-17(9-7-16)20-10-14(3)22-15(4)11-20/h6-9,12,14-15H,5,10-11H2,1-4H3/p+1
InChIKeyKTLNWZQHGPTYBE-UHFFFAOYSA-O
XLogP3.72
TPSA28.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N,4-Trimethyl-2-{methyl[4-morpholinoanilinocarbonyl]amino}-1,3-thiazole-5-sulphonamide
CID 491974
4-Methyl-5-{(2E)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-YL}-1,3-thiazol-2-amine
CID 11840966
3,4-Dimethyl-2-(phenylamino)thiazol-3-ium bromide
CID 16188104
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenyl-1,3-thiazol-2-amine
CID 17410113
1-[5-(Dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
CID 142015956
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398
2-[4-Methyl-2-(phenylamino)-1,3-thiazol-3-yl]ethan-1-ol
CID 949020
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine iodide
CID 2730126
N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
CID 2727791
(3,4-Dimethyl(1,3-thiazol-2-yl))phenylamine
CID 840781
1-[4-[(2-Anilino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 8893603
n-(Morpholin-4-ylphenyl)thiazol-2-amine
CID 87173699

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine (CID 2730127) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine is CC[n+]1c(C)csc1Nc1ccc(N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine?
The InChIKey is KTLNWZQHGPTYBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3OS/c1-5-21-13(2)12-23-18(21)19-16-6-8-17(9-7-16)20-10-14(3)22-15(4)11-20/h6-9,12,14-15H,5,10-11H2,1-4H3/p+1.
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine has a molecular weight of 332.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-ethyl-4-methyl-1,3-thiazol-3-ium-2-amine is sourced from PubChem (CID 2730127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).