4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine

C10H8BrClN2S — CID 86657697

IUPAC4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(Cl)cc2Br)cs1
InChIInChI=1S/C10H8BrClN2S/c1-13-10-14-9(5-15-10)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,14)
InChIKeyIDARSQDJMVYVOF-UHFFFAOYSA-N
MW303.61 g/mol
LogP4.27
Rot. Bonds2

About 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine

4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 86657697) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID86657697
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(Cl)cc2Br)cs1
InChIInChI=1S/C10H8BrClN2S/c1-13-10-14-9(5-15-10)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,14)
InChIKeyIDARSQDJMVYVOF-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-2-methylquinolin-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 82449132
4-[4-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-N-methyl-1,3-thiazol-2-amine
CID 87311082
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-(2-bromo-5-chlorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 86657720
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174065
4-(4-bromo-2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 82774650
N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 2507086
4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 82549373
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178659
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 86657697) is 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(Cl)cc2Br)cs1.
What is the InChIKey of 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is IDARSQDJMVYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c1-13-10-14-9(5-15-10)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H,13,14).
What are the key properties of 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine?
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 303.61 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 86657697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).