1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

C15H19BrN2OS — CID 106951184

IUPAC1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(OC)c(Br)c2)nc1C(C)C
InChIInChI=1S/C15H19BrN2OS/c1-9(2)14-13(8-17-3)20-15(18-14)10-5-6-12(19-4)11(16)7-10/h5-7,9,17H,8H2,1-4H3
InChIKeyRSBXYPULCJIIGC-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.42
Rot. Bonds5

About 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 106951184) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID106951184
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(OC)c(Br)c2)nc1C(C)C
InChIInChI=1S/C15H19BrN2OS/c1-9(2)14-13(8-17-3)20-15(18-14)10-5-6-12(19-4)11(16)7-10/h5-7,9,17H,8H2,1-4H3
InChIKeyRSBXYPULCJIIGC-UHFFFAOYSA-N
XLogP4.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114364781
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
N-[[2-(3-bromo-4-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365441
N-[[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106951183
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280524
1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364913
N-[[2-(3-bromo-4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915459
1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437361
[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 106951176
1-[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115568387

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 106951184) is 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(OC)c(Br)c2)nc1C(C)C.
What is the InChIKey of 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is RSBXYPULCJIIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-9(2)14-13(8-17-3)20-15(18-14)10-5-6-12(19-4)11(16)7-10/h5-7,9,17H,8H2,1-4H3.
What are the key properties of 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 355.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 106951184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).