2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline

C15H19N3OS — CID 167513347

IUPAC2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
SMILESCc1ccc(-c2csc(N3CCOCC3)n2)c(N)c1C
InChIInChI=1S/C15H19N3OS/c1-10-3-4-12(14(16)11(10)2)13-9-20-15(17-13)18-5-7-19-8-6-18/h3-4,9H,5-8,16H2,1-2H3
InChIKeyYTIFONYULWXVNX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.85
Rot. Bonds2

About 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline

2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline (PubChem CID 167513347) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
PubChem CID167513347
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
SMILESCc1ccc(-c2csc(N3CCOCC3)n2)c(N)c1C
InChIInChI=1S/C15H19N3OS/c1-10-3-4-12(14(16)11(10)2)13-9-20-15(17-13)18-5-7-19-8-6-18/h3-4,9H,5-8,16H2,1-2H3
InChIKeyYTIFONYULWXVNX-UHFFFAOYSA-N
XLogP2.85
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 162360505
tert-butyl 2-[2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetate
CID 162360599
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole
CID 23741861
4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 32951384
4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 17443525
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 167843609
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154769
4-[2,5-dimethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 42998335

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline (CID 167513347) is 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline is Cc1ccc(-c2csc(N3CCOCC3)n2)c(N)c1C.
What is the InChIKey of 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline?
The InChIKey is YTIFONYULWXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-3-4-12(14(16)11(10)2)13-9-20-15(17-13)18-5-7-19-8-6-18/h3-4,9H,5-8,16H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline?
2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline has a molecular weight of 289.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 167513347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).