1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C11H11BrN2S — CID 62760159

IUPAC1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cncs2)cc1
InChIInChI=1S/C11H11BrN2S/c12-10-3-1-9(2-4-10)5-13-6-11-7-14-8-15-11/h1-4,7-8,13H,5-6H2
InChIKeyKWZXEACBFIADPD-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.20
Rot. Bonds4

About 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 62760159) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID62760159
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2cncs2)cc1
InChIInChI=1S/C11H11BrN2S/c12-10-3-1-9(2-4-10)5-13-6-11-7-14-8-15-11/h1-4,7-8,13H,5-6H2
InChIKeyKWZXEACBFIADPD-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
2-(4-Bromophenyl)-1,3-thiazole
CID 13546651
Benzyl[(1,3-thiazol-5-yl)methyl]amine
CID 21710584
5-(4-Bromophenyl)-1,3-thiazole
CID 53393366
1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 134795490
1-[(4-Bromophenyl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 72139472
(1S)-1-(4-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 97319640
(1R)-1-(4-bromophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
CID 121532865
(2-(4-Fluorophenyl)thiazol-5-yl)methanamine
CID 61280356
N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62880603
2-Fluoro-4-(thiazol-5-yl)bromobenzene
CID 130114664

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 62760159) is 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is Brc1ccc(CNCc2cncs2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is KWZXEACBFIADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c12-10-3-1-9(2-4-10)5-13-6-11-7-14-8-15-11/h1-4,7-8,13H,5-6H2.
What are the key properties of 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 283.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 62760159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).