1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine

C16H21BrN2OS — CID 61332934

IUPAC1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H21BrN2OS/c1-16(2,3)13-9-21-15(19-13)14(18-4)11-8-10(17)6-7-12(11)20-5/h6-9,14,18H,1-5H3
InChIKeyKIZBHUMAUXBTFO-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.52
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine

1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine (PubChem CID 61332934) has the molecular formula C16H21BrN2OS and a molecular weight of 369.33 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
PubChem CID61332934
Molecular FormulaC16H21BrN2OS
Molecular Weight369.33 g/mol
Exact Mass368.06
IUPAC Name1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)c1cc(Br)ccc1OC
InChIInChI=1S/C16H21BrN2OS/c1-16(2,3)13-9-21-15(19-13)14(18-4)11-8-10(17)6-7-12(11)20-5/h6-9,14,18H,1-5H3
InChIKeyKIZBHUMAUXBTFO-UHFFFAOYSA-N
XLogP4.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332307
1-(4-bromo-3-methylphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 66481594
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 61332341
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 105016098
1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 65237360
3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951959
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-bromo-2-methoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62919212

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine (CID 61332934) is 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine is CNC(c1nc(C(C)(C)C)cs1)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine?
The InChIKey is KIZBHUMAUXBTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2OS/c1-16(2,3)13-9-21-15(19-13)14(18-4)11-8-10(17)6-7-12(11)20-5/h6-9,14,18H,1-5H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine?
1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine has a molecular weight of 369.33 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 61332934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).