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

C16H22N4S — CID 82098070

IUPAC4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
SMILESCN1CCN(CCc2nc(-c3ccc(N)cc3)cs2)CC1
InChIInChI=1S/C16H22N4S/c1-19-8-10-20(11-9-19)7-6-16-18-15(12-21-16)13-2-4-14(17)5-3-13/h2-5,12H,6-11,17H2,1H3
InChIKeyWQZDAUPXMKHBKG-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.18
Rot. Bonds4

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

4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline (PubChem CID 82098070) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
PubChem CID82098070
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
SMILESCN1CCN(CCc2nc(-c3ccc(N)cc3)cs2)CC1
InChIInChI=1S/C16H22N4S/c1-19-8-10-20(11-9-19)7-6-16-18-15(12-21-16)13-2-4-14(17)5-3-13/h2-5,12H,6-11,17H2,1H3
InChIKeyWQZDAUPXMKHBKG-UHFFFAOYSA-N
XLogP2.18
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.18
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-morpholin-4-ylethyl)-1,3-thiazol-4-yl]aniline
CID 82098071
1-[4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]phenyl]ethanone
CID 22893126
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
4-[2-[2-(2-methylimidazol-1-yl)ethyl]-1,3-thiazol-4-yl]aniline
CID 84818101
2-[(4-methylpiperazin-1-yl)methyl]-4-(4-prop-1-en-2-ylphenyl)-1,3-thiazole
CID 142085789
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82515228
4-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]aniline
CID 61308270
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-ol
CID 82515229
5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 82058210
4-[2-(pyridin-4-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 62550906
4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 74241415
[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol
CID 82425050

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline (CID 82098070) is 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline is CN1CCN(CCc2nc(-c3ccc(N)cc3)cs2)CC1.
What is the InChIKey of 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline?
The InChIKey is WQZDAUPXMKHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-19-8-10-20(11-9-19)7-6-16-18-15(12-21-16)13-2-4-14(17)5-3-13/h2-5,12H,6-11,17H2,1H3.
What are the key properties of 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline?
4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline has a molecular weight of 302.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 82098070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).