5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline

C11H11BrN2S — CID 63657020

IUPAC5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCc1ccc(Br)cc1NCc1nccs1
InChIInChI=1S/C11H11BrN2S/c1-8-2-3-9(12)6-10(8)14-7-11-13-4-5-15-11/h2-6,14H,7H2,1H3
InChIKeyKMCAGBZMFOGFCN-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.83
Rot. Bonds3

About 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline

5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 63657020) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID63657020
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESCc1ccc(Br)cc1NCc1nccs1
InChIInChI=1S/C11H11BrN2S/c1-8-2-3-9(12)6-10(8)14-7-11-13-4-5-15-11/h2-6,14H,7H2,1H3
InChIKeyKMCAGBZMFOGFCN-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656219
4-bromo-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 103579715
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657222
5-bromo-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62749598
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 79017119
5-bromo-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63445697
5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline
CID 102833355
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
4-[(5-bromo-2-methylanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103239529
N-[(4-aminophenyl)methyl]-5-bromo-2-methylaniline
CID 115212391
2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
CID 63078164

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline (CID 63657020) is 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline is Cc1ccc(Br)cc1NCc1nccs1.
What is the InChIKey of 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is KMCAGBZMFOGFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-8-2-3-9(12)6-10(8)14-7-11-13-4-5-15-11/h2-6,14H,7H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline?
5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 283.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 63657020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).