5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine

C11H12BrN3S — CID 103361896

IUPAC5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1ccc(Br)cc1)c1cc(N)ns1
InChIInChI=1S/C11H12BrN3S/c1-15(11-6-10(13)14-16-11)7-8-2-4-9(12)5-3-8/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyOUKBIFYAUBZIFN-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.12
Rot. Bonds3

About 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103361896) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103361896
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1ccc(Br)cc1)c1cc(N)ns1
InChIInChI=1S/C11H12BrN3S/c1-15(11-6-10(13)14-16-11)7-8-2-4-9(12)5-3-8/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyOUKBIFYAUBZIFN-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360517
5-N-[(4-bromophenyl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361892
4-N-[(4-bromophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112726058
2-[[(4-bromophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80657866
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365871
4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
3-amino-4-[(4-bromophenyl)methyl-methylamino]benzonitrile
CID 61415342
N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline
CID 63540991
5-N,5-N-bis(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103360689

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103361896) is 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine is CN(Cc1ccc(Br)cc1)c1cc(N)ns1.
What is the InChIKey of 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is OUKBIFYAUBZIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-15(11-6-10(13)14-16-11)7-8-2-4-9(12)5-3-8/h2-6H,7H2,1H3,(H2,13,14).
What are the key properties of 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 298.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-bromophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).