N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

C12H15BrN2S — CID 64550890

IUPACN-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cccc(Br)c2)=N1
InChIInChI=1S/C12H15BrN2S/c1-3-12(2)8-16-11(15-12)14-10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeySYAXIWPRDMCWGW-UHFFFAOYSA-N
MW299.24 g/mol
LogP4.13
Rot. Bonds2

About N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64550890) has the molecular formula C12H15BrN2S and a molecular weight of 299.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64550890
Molecular FormulaC12H15BrN2S
Molecular Weight299.24 g/mol
Exact Mass298.01
IUPAC NameN-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cccc(Br)c2)=N1
InChIInChI=1S/C12H15BrN2S/c1-3-12(2)8-16-11(15-12)14-10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H,14,15)
InChIKeySYAXIWPRDMCWGW-UHFFFAOYSA-N
XLogP4.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dibromo-4-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 114209184
N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64558420
4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
CID 64551710
4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine
CID 64550060
N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 107622339
4-ethyl-4-methyl-N-phenyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164620
4,4-diethyl-N-(3-iodophenyl)-5H-1,3-thiazol-2-amine
CID 62523962
4-ethyl-4-methyl-N-(4-pyrrolidin-1-ylphenyl)-5H-1,3-thiazol-2-amine
CID 64551733
N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550272
N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550265
N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165502
N-[3-(methoxymethyl)phenyl]-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 54965185

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 64550890) is N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2cccc(Br)c2)=N1.
What is the InChIKey of N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is SYAXIWPRDMCWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S/c1-3-12(2)8-16-11(15-12)14-10-6-4-5-9(13)7-10/h4-7H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 299.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64550890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).