[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine

C12H13BrN2OS — CID 82831486

IUPAC[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COCc2cccc(Br)c2)cs1
InChIInChI=1S/C12H13BrN2OS/c13-10-3-1-2-9(4-10)6-16-7-11-8-17-12(5-14)15-11/h1-4,8H,5-7,14H2
InChIKeyPJLPVSSUJUBDFU-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.08
Rot. Bonds5

About [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine

[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 82831486) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
PubChem CID82831486
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COCc2cccc(Br)c2)cs1
InChIInChI=1S/C12H13BrN2OS/c13-10-3-1-2-9(4-10)6-16-7-11-8-17-12(5-14)15-11/h1-4,8H,5-7,14H2
InChIKeyPJLPVSSUJUBDFU-UHFFFAOYSA-N
XLogP3.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine with MolForge

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Related Compounds

N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 82831557
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82808402
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
2-[4-[(3-bromophenyl)methoxy]butyl]-4-(chloromethyl)-1,3-thiazole
CID 82823971
[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 55077570
3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089233
[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 82832131
[4-(furan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443694
4-(chloromethyl)-2-[2-[(3-chlorophenyl)methoxy]ethyl]-1,3-thiazole
CID 65126386
1-(3-bromophenyl)-N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methylmethanamine
CID 61416017
[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
CID 102663616

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine (CID 82831486) is [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(COCc2cccc(Br)c2)cs1.
What is the InChIKey of [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is PJLPVSSUJUBDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c13-10-3-1-2-9(4-10)6-16-7-11-8-17-12(5-14)15-11/h1-4,8H,5-7,14H2.
What are the key properties of [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine?
[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 313.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82831486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).