N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

C16H21BrN2OS — CID 82808402

IUPACN-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(COCc2cccc(Br)c2)cs1
InChIInChI=1S/C16H21BrN2OS/c1-12(2)7-18-8-16-19-15(11-21-16)10-20-9-13-4-3-5-14(17)6-13/h3-6,11-12,18H,7-10H2,1-2H3
InChIKeyRALQDISUNLALIE-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.37
Rot. Bonds8

About N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82808402) has the molecular formula C16H21BrN2OS and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID82808402
Molecular FormulaC16H21BrN2OS
Molecular Weight369.33 g/mol
Exact Mass368.06
IUPAC NameN-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(COCc2cccc(Br)c2)cs1
InChIInChI=1S/C16H21BrN2OS/c1-12(2)7-18-8-16-19-15(11-21-16)10-20-9-13-4-3-5-14(17)6-13/h3-6,11-12,18H,7-10H2,1-2H3
InChIKeyRALQDISUNLALIE-UHFFFAOYSA-N
XLogP4.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 82831557
[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 82831486
N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62444643
N-[[4-[2-(dimethylamino)ethoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459461
N-[[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79788995
N-[[4-[3-(2-methoxyethoxy)propoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 103406187
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
2-methyl-N-[[4-(pent-4-enoxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 79113130
2-[4-[(3-bromophenyl)methoxy]butyl]-4-(chloromethyl)-1,3-thiazole
CID 82823971
N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609
3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 103075001
N-[[4-(cycloheptyloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62459671

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine (CID 82808402) is N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(COCc2cccc(Br)c2)cs1.
What is the InChIKey of N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RALQDISUNLALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2OS/c1-12(2)7-18-8-16-19-15(11-21-16)10-20-9-13-4-3-5-14(17)6-13/h3-6,11-12,18H,7-10H2,1-2H3.
What are the key properties of N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 369.33 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82808402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).