1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine

C14H16BrClN2S — CID 105019983

IUPAC1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H16BrClN2S/c1-8-9(2)19-14(18-8)7-13(17-3)11-6-10(15)4-5-12(11)16/h4-6,13,17H,7H2,1-3H3
InChIKeyVRXQRKRHYXBWEZ-UHFFFAOYSA-N
MW359.72 g/mol
LogP4.68
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine

1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine (PubChem CID 105019983) has the molecular formula C14H16BrClN2S and a molecular weight of 359.72 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
PubChem CID105019983
Molecular FormulaC14H16BrClN2S
Molecular Weight359.72 g/mol
Exact Mass357.99
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H16BrClN2S/c1-8-9(2)19-14(18-8)7-13(17-3)11-6-10(15)4-5-12(11)16/h4-6,13,17H,7H2,1-3H3
InChIKeyVRXQRKRHYXBWEZ-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.72
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019918
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
1-(5-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830664
1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103215960
1-(5-bromo-2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61077843
1-(5-bromo-2-chlorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412254
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
1-(5-bromo-2-chlorophenyl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 43487053
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
[1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105192292
1-(5-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 114894611
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103406934

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine (CID 105019983) is 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine is CNC(Cc1nc(C)c(C)s1)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The InChIKey is VRXQRKRHYXBWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2S/c1-8-9(2)19-14(18-8)7-13(17-3)11-6-10(15)4-5-12(11)16/h4-6,13,17H,7H2,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine has a molecular weight of 359.72 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 105019983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).