N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine

C21H21BrN2OS — CID 112806604

IUPACN-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine
SMILESCOc1ccc(Br)cc1-c1nc(CNC(c2ccccc2)C2CC2)cs1
InChIInChI=1S/C21H21BrN2OS/c1-25-19-10-9-16(22)11-18(19)21-24-17(13-26-21)12-23-20(15-7-8-15)14-5-3-2-4-6-14/h2-6,9-11,13,15,20,23H,7-8,12H2,1H3
InChIKeyRPWHNPQAHWUOIZ-UHFFFAOYSA-N
MW429.38 g/mol
LogP5.82
Rot. Bonds7

About N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine

N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine (PubChem CID 112806604) has the molecular formula C21H21BrN2OS and a molecular weight of 429.38 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine
PubChem CID112806604
Molecular FormulaC21H21BrN2OS
Molecular Weight429.38 g/mol
Exact Mass428.06
IUPAC NameN-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine
SMILESCOc1ccc(Br)cc1-c1nc(CNC(c2ccccc2)C2CC2)cs1
InChIInChI=1S/C21H21BrN2OS/c1-25-19-10-9-16(22)11-18(19)21-24-17(13-26-21)12-23-20(15-7-8-15)14-5-3-2-4-6-14/h2-6,9-11,13,15,20,23H,7-8,12H2,1H3
InChIKeyRPWHNPQAHWUOIZ-UHFFFAOYSA-N
XLogP5.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.38
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine with MolForge

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Related Compounds

[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 55702121
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 60671972
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]propanoic acid
CID 119911824
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 43233418
1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918222
3-bromo-N-[cyclopropyl(phenyl)methyl]-4-methoxybenzenesulfonamide
CID 24679031
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-quinolin-2-ylpropanoate
CID 29486456
dimethyl 5-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16571362
2-(5-bromo-2-methoxyphenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazole
CID 2536629

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine?
The IUPAC name of N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine (CID 112806604) is N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine.
What is the SMILES notation for N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine?
The canonical SMILES for N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine is COc1ccc(Br)cc1-c1nc(CNC(c2ccccc2)C2CC2)cs1.
What is the InChIKey of N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine?
The InChIKey is RPWHNPQAHWUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2OS/c1-25-19-10-9-16(22)11-18(19)21-24-17(13-26-21)12-23-20(15-7-8-15)14-5-3-2-4-6-14/h2-6,9-11,13,15,20,23H,7-8,12H2,1H3.
What are the key properties of N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine?
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine has a molecular weight of 429.38 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine is sourced from PubChem (CID 112806604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).