5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline

C10H10BrN3OS — CID 79844147

IUPAC5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline
SMILESCc1nnc(Oc2c(C)cc(Br)cc2N)s1
InChIInChI=1S/C10H10BrN3OS/c1-5-3-7(11)4-8(12)9(5)15-10-14-13-6(2)16-10/h3-4H,12H2,1-2H3
InChIKeyHFVLJFDBURWYIP-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.29
Rot. Bonds2

About 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline

5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline (PubChem CID 79844147) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline.

Molecular Properties

Compound Name5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline
PubChem CID79844147
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline
SMILESCc1nnc(Oc2c(C)cc(Br)cc2N)s1
InChIInChI=1S/C10H10BrN3OS/c1-5-3-7(11)4-8(12)9(5)15-10-14-13-6(2)16-10/h3-4H,12H2,1-2H3
InChIKeyHFVLJFDBURWYIP-UHFFFAOYSA-N
XLogP3.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-methyl-2-(1-methyltetrazol-5-yl)oxyaniline
CID 79844958
5-bromo-2-(methoxymethoxy)-3-methylaniline
CID 79844363
4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 79843232
5-bromo-3-methyl-2-pyrimidin-4-yloxyaniline
CID 79843015
2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole
CID 114673209
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]-3-methylaniline
CID 79842800
5-bromo-2-[(5-bromothiophen-2-yl)methoxy]-3-methylaniline
CID 79843438
5-bromo-3-methyl-2-(2-propan-2-yloxyethoxy)aniline
CID 79843008
5-bromo-3-methyl-2-(2-propoxyethoxy)aniline
CID 54853076
4-(2-amino-4-bromo-6-methylphenoxy)pyridine-2-carbonitrile
CID 79843917
methyl 2-(2-amino-4-bromo-6-methylphenoxy)propanoate
CID 79842569
5-bromo-2-[(E)-but-2-enoxy]-3-methylaniline
CID 107898644

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline?
The IUPAC name of 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline (CID 79844147) is 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline.
What is the SMILES notation for 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline?
The canonical SMILES for 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline is Cc1nnc(Oc2c(C)cc(Br)cc2N)s1.
What is the InChIKey of 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline?
The InChIKey is HFVLJFDBURWYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-5-3-7(11)4-8(12)9(5)15-10-14-13-6(2)16-10/h3-4H,12H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline?
5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline has a molecular weight of 300.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline is sourced from PubChem (CID 79844147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).