4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline

C15H16N4S — CID 84818101

IUPAC4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
SMILESCc1nccn1CCc1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C15H16N4S/c1-11-17-7-9-19(11)8-6-15-18-14(10-20-15)12-2-4-13(16)5-3-12/h2-5,7,9-10H,6,8,16H2,1H3
InChIKeyQAXRTAHWHDOOCL-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.14
Rot. Bonds4

About 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline

4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline (PubChem CID 84818101) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
PubChem CID84818101
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
SMILESCc1nccn1CCc1nc(-c2ccc(N)cc2)cs1
InChIInChI=1S/C15H16N4S/c1-11-17-7-9-19(11)8-6-15-18-14(10-20-15)12-2-4-13(16)5-3-12/h2-5,7,9-10H,6,8,16H2,1H3
InChIKeyQAXRTAHWHDOOCL-UHFFFAOYSA-N
XLogP3.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.14
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-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline
CID 82098071
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571781
4-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308270
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906
4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
CID 82163122
4-[(2-methylimidazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 43137964
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide
CID 46969122
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493689

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline (CID 84818101) is 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline is Cc1nccn1CCc1nc(-c2ccc(N)cc2)cs1.
What is the InChIKey of 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline?
The InChIKey is QAXRTAHWHDOOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-17-7-9-19(11)8-6-15-18-14(10-20-15)12-2-4-13(16)5-3-12/h2-5,7,9-10H,6,8,16H2,1H3.
What are the key properties of 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline?
4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline has a molecular weight of 284.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 84818101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).