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

C9H8BrClN2S — CID 107614115

IUPACN-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1cc(NC2=NCCS2)ccc1Br
InChIInChI=1S/C9H8BrClN2S/c10-7-2-1-6(5-8(7)11)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyKLLJHXXZOCSMJL-UHFFFAOYSA-N
MW291.60 g/mol
LogP3.62
Rot. Bonds1

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

N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107614115) has the molecular formula C9H8BrClN2S and a molecular weight of 291.60 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107614115
Molecular FormulaC9H8BrClN2S
Molecular Weight291.60 g/mol
Exact Mass289.93
IUPAC NameN-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1cc(NC2=NCCS2)ccc1Br
InChIInChI=1S/C9H8BrClN2S/c10-7-2-1-6(5-8(7)11)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyKLLJHXXZOCSMJL-UHFFFAOYSA-N
XLogP3.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107614120
N-(4-bromo-3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 29068137
N-(3,4-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068216
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068023
N-(4-bromo-3-chlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107614106
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198
N-(4-bromo-3-chlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107615026
N-(4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
CID 24846782
N-(4-bromo-3-chlorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107614108
N-(2,4-dibromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61477483
N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 14391638
5-bromo-N-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 107615031

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107614115) is N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Clc1cc(NC2=NCCS2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KLLJHXXZOCSMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2S/c10-7-2-1-6(5-8(7)11)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 291.60 g/mol, XLogP of 3.62, 1 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)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107614115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).