4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline

C13H13BrCl2N2S — CID 63750764

IUPAC4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C)c(C(C)Nc2c(Cl)cc(Br)cc2Cl)s1
InChIInChI=1S/C13H13BrCl2N2S/c1-6-13(19-8(3)17-6)7(2)18-12-10(15)4-9(14)5-11(12)16/h4-5,7,18H,1-3H3
InChIKeyHKMPOUVULIBVDE-UHFFFAOYSA-N
MW380.14 g/mol
LogP6.00
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline

4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 63750764) has the molecular formula C13H13BrCl2N2S and a molecular weight of 380.14 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID63750764
Molecular FormulaC13H13BrCl2N2S
Molecular Weight380.14 g/mol
Exact Mass377.94
IUPAC Name4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1nc(C)c(C(C)Nc2c(Cl)cc(Br)cc2Cl)s1
InChIInChI=1S/C13H13BrCl2N2S/c1-6-13(19-8(3)17-6)7(2)18-12-10(15)4-9(14)5-11(12)16/h4-5,7,18H,1-3H3
InChIKeyHKMPOUVULIBVDE-UHFFFAOYSA-N
XLogP6.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.14
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750614
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4,6-trimethylaniline
CID 63751752
3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751888
4-bromo-2,6-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670284
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643595
2-chloro-1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 55151089
3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 102757058
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 63751601
3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 63750612
3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline
CID 63752106
4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43126565

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline (CID 63750764) is 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1nc(C)c(C(C)Nc2c(Cl)cc(Br)cc2Cl)s1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is HKMPOUVULIBVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N2S/c1-6-13(19-8(3)17-6)7(2)18-12-10(15)4-9(14)5-11(12)16/h4-5,7,18H,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline?
4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline has a molecular weight of 380.14 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 63750764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).