4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline

C15H19N3OS — CID 82098071

IUPAC4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(CCN3CCOCC3)n2)cc1
InChIInChI=1S/C15H19N3OS/c16-13-3-1-12(2-4-13)14-11-20-15(17-14)5-6-18-7-9-19-10-8-18/h1-4,11H,5-10,16H2
InChIKeyRHGHSNWLSNFTCG-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.27
Rot. Bonds4

About 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline

4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline (PubChem CID 82098071) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline
PubChem CID82098071
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline
SMILESNc1ccc(-c2csc(CCN3CCOCC3)n2)cc1
InChIInChI=1S/C15H19N3OS/c16-13-3-1-12(2-4-13)14-11-20-15(17-14)5-6-18-7-9-19-10-8-18/h1-4,11H,5-10,16H2
InChIKeyRHGHSNWLSNFTCG-UHFFFAOYSA-N
XLogP2.27
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.27
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

4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
CID 82098070
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 134812941
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide
CID 82515196
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 141208836
1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115089637
4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
CID 84818101
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515189
1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone
CID 22893126
1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
CID 21135766
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine
CID 125130299
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline (CID 82098071) is 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline is Nc1ccc(-c2csc(CCN3CCOCC3)n2)cc1.
What is the InChIKey of 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is RHGHSNWLSNFTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-13-3-1-12(2-4-13)14-11-20-15(17-14)5-6-18-7-9-19-10-8-18/h1-4,11H,5-10,16H2.
What are the key properties of 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline?
4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 289.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 82098071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).