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

C12H14BrClN2S — CID 64550701

IUPACN-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cc(Br)ccc2Cl)=N1
InChIInChI=1S/C12H14BrClN2S/c1-3-12(2)7-17-11(16-12)15-10-6-8(13)4-5-9(10)14/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyBYRJFEMNKGNQDR-UHFFFAOYSA-N
MW333.68 g/mol
LogP4.79
Rot. Bonds2

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

N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64550701) has the molecular formula C12H14BrClN2S and a molecular weight of 333.68 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64550701
Molecular FormulaC12H14BrClN2S
Molecular Weight333.68 g/mol
Exact Mass331.97
IUPAC NameN-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cc(Br)ccc2Cl)=N1
InChIInChI=1S/C12H14BrClN2S/c1-3-12(2)7-17-11(16-12)15-10-6-8(13)4-5-9(10)14/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyBYRJFEMNKGNQDR-UHFFFAOYSA-N
XLogP4.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.68
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64558420
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550890
N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550272
N-(5-bromo-2-chlorophenyl)-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106298479
N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 116785087
N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64551499
N-(4-bromo-2-methylphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 114152526
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 107622339
4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64551922
5-chloro-N-(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 65475691

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 64550701) is N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2cc(Br)ccc2Cl)=N1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is BYRJFEMNKGNQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2S/c1-3-12(2)7-17-11(16-12)15-10-6-8(13)4-5-9(10)14/h4-6H,3,7H2,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 333.68 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64550701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).