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

C10H9BrCl2N2S — CID 107791746

IUPACN-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccc(Br)c(Cl)c2Cl)S1
InChIInChI=1S/C10H9BrCl2N2S/c1-5-4-14-10(16-5)15-7-3-2-6(11)8(12)9(7)13/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyXXHBKPSRCLFEAG-UHFFFAOYSA-N
MW340.07 g/mol
LogP4.66
Rot. Bonds1

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

N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107791746) has the molecular formula C10H9BrCl2N2S and a molecular weight of 340.07 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107791746
Molecular FormulaC10H9BrCl2N2S
Molecular Weight340.07 g/mol
Exact Mass337.90
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2ccc(Br)c(Cl)c2Cl)S1
InChIInChI=1S/C10H9BrCl2N2S/c1-5-4-14-10(16-5)15-7-3-2-6(11)8(12)9(7)13/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyXXHBKPSRCLFEAG-UHFFFAOYSA-N
XLogP4.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.07
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536
3-bromo-4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107791793
N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440055
N-(4-bromo-2-ethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81289779
N-(4-bromo-2,3-dichlorophenyl)-4-chloro-1,2,5-thiadiazol-3-amine
CID 107792312
N-(2,6-dichloro-3-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439673
N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385642
N-(2-ethyl-4-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 22295019
N-(4-bromo-2,3-dichlorophenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 107791726
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499430
N-(2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2826648
4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107794861

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107791746) is N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(Nc2ccc(Br)c(Cl)c2Cl)S1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XXHBKPSRCLFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2N2S/c1-5-4-14-10(16-5)15-7-3-2-6(11)8(12)9(7)13/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 340.07 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107791746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).