5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline

C16H22BrN3S — CID 82954658

IUPAC5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCNC(C)c1ccc(Br)cc1N(C)Cc1scnc1C
InChIInChI=1S/C16H22BrN3S/c1-5-18-11(2)14-7-6-13(17)8-15(14)20(4)9-16-12(3)19-10-21-16/h6-8,10-11,18H,5,9H2,1-4H3
InChIKeyHRMREAJLTSTTQZ-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.52
Rot. Bonds6

About 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline

5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 82954658) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID82954658
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC Name5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCNC(C)c1ccc(Br)cc1N(C)Cc1scnc1C
InChIInChI=1S/C16H22BrN3S/c1-5-18-11(2)14-7-6-13(17)8-15(14)20(4)9-16-12(3)19-10-21-16/h6-8,10-11,18H,5,9H2,1-4H3
InChIKeyHRMREAJLTSTTQZ-UHFFFAOYSA-N
XLogP4.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(ethylamino)ethyl]-5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenol
CID 79591229
4-bromo-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzaldehyde
CID 63836409
6-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127304
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
5-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 63840146
5-bromo-N'-hydroxy-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzenecarboximidamide
CID 114892577
5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 75427897
4-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 82955986
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
2-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-[(propan-2-ylamino)methyl]aniline
CID 63838219
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81381393

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 82954658) is 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline is CCNC(C)c1ccc(Br)cc1N(C)Cc1scnc1C.
What is the InChIKey of 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is HRMREAJLTSTTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-5-18-11(2)14-7-6-13(17)8-15(14)20(4)9-16-12(3)19-10-21-16/h6-8,10-11,18H,5,9H2,1-4H3.
What are the key properties of 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline?
5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 368.34 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[1-(ethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 82954658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).