3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline

C16H22N4S — CID 99834704

IUPAC3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCCN1CCN(c2cccc(NCc3cscn3)c2)CC1
InChIInChI=1S/C16H22N4S/c1-2-19-6-8-20(9-7-19)16-5-3-4-14(10-16)17-11-15-12-21-13-18-15/h3-5,10,12-13,17H,2,6-9,11H2,1H3
InChIKeyRLJNLIQTSWQLMK-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.90
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline

3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 99834704) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID99834704
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCCN1CCN(c2cccc(NCc3cscn3)c2)CC1
InChIInChI=1S/C16H22N4S/c1-2-19-6-8-20(9-7-19)16-5-3-4-14(10-16)17-11-15-12-21-13-18-15/h3-5,10,12-13,17H,2,6-9,11H2,1H3
InChIKeyRLJNLIQTSWQLMK-UHFFFAOYSA-N
XLogP2.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169274
3-(4-ethylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)aniline
CID 99834710
3-(4-ethylpiperazin-1-yl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)aniline
CID 99834709
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 71967970
N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
CID 61171584
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 119125309
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189
3-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60689652
N-[3-(4-ethylpiperazin-1-yl)phenyl]methanesulfonamide
CID 91137331
methyl 3-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60690780
2-methyl-4-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696611

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline (CID 99834704) is 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline is CCN1CCN(c2cccc(NCc3cscn3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is RLJNLIQTSWQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-2-19-6-8-20(9-7-19)16-5-3-4-14(10-16)17-11-15-12-21-13-18-15/h3-5,10,12-13,17H,2,6-9,11H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline?
3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 302.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 99834704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).