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

C11H12BrClN2S — CID 107614106

IUPACN-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(Br)c(Cl)c2)=N1
InChIInChI=1S/C11H12BrClN2S/c1-2-7-6-16-11(14-7)15-8-3-4-9(12)10(13)5-8/h3-5,7H,2,6H2,1H3,(H,14,15)
InChIKeyYIDUBBCBOCRVBY-UHFFFAOYSA-N
MW319.66 g/mol
LogP4.40
Rot. Bonds2

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

N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107614106) has the molecular formula C11H12BrClN2S and a molecular weight of 319.66 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107614106
Molecular FormulaC11H12BrClN2S
Molecular Weight319.66 g/mol
Exact Mass317.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(Br)c(Cl)c2)=N1
InChIInChI=1S/C11H12BrClN2S/c1-2-7-6-16-11(14-7)15-8-3-4-9(12)10(13)5-8/h3-5,7H,2,6H2,1H3,(H,14,15)
InChIKeyYIDUBBCBOCRVBY-UHFFFAOYSA-N
XLogP4.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.66
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-Chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383599
N-(4-bromo-3-chlorophenyl)-2-[(4-oxo-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 2238183
n-(3-Chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 280593
5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3116468
Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester
CID 3032529
propyl N-(3-chlorophenyl)-N'-methylcarbamimidothioate
CID 44390365
propan-2-yl N-(3-chlorophenyl)-N'-methylcarbamimidothioate
CID 44390381
ethyl N-(3-chlorophenyl)-N'-methylcarbamimidothioate
CID 44390429
(4-Bromophenyl)(4-methyl(1,3-thiazolin-2-yl))amine
CID 4607969
N-(3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 3388858
(4S)-N-(2-bromophenyl)-4-(2-methylsulfanylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135044591
(4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 135044601

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107614106) is N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2ccc(Br)c(Cl)c2)=N1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YIDUBBCBOCRVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2S/c1-2-7-6-16-11(14-7)15-8-3-4-9(12)10(13)5-8/h3-5,7H,2,6H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 319.66 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107614106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).