2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole

C9H6BrClN2OS — CID 64623863

IUPAC2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole
SMILESCc1ccc(Oc2nnc(Br)s2)c(Cl)c1
InChIInChI=1S/C9H6BrClN2OS/c1-5-2-3-7(6(11)4-5)14-9-13-12-8(10)15-9/h2-4H,1H3
InChIKeyMKMOPTHOSKPJKN-UHFFFAOYSA-N
MW305.58 g/mol
LogP4.05
Rot. Bonds2

About 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole

2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole (PubChem CID 64623863) has the molecular formula C9H6BrClN2OS and a molecular weight of 305.58 g/mol. Its IUPAC name is 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole
PubChem CID64623863
Molecular FormulaC9H6BrClN2OS
Molecular Weight305.58 g/mol
Exact Mass303.91
IUPAC Name2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole
SMILESCc1ccc(Oc2nnc(Br)s2)c(Cl)c1
InChIInChI=1S/C9H6BrClN2OS/c1-5-2-3-7(6(11)4-5)14-9-13-12-8(10)15-9/h2-4H,1H3
InChIKeyMKMOPTHOSKPJKN-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-methylphenoxy)-1,3-thiazol-5-amine
CID 102769480
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole
CID 64623026
2-bromo-5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,4-thiadiazole
CID 64623449
2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole
CID 64624275
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
4-(2-chloro-4-methylphenoxy)-3-iodoaniline
CID 66094007
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole (CID 64623863) is 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole is Cc1ccc(Oc2nnc(Br)s2)c(Cl)c1.
What is the InChIKey of 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole?
The InChIKey is MKMOPTHOSKPJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2OS/c1-5-2-3-7(6(11)4-5)14-9-13-12-8(10)15-9/h2-4H,1H3.
What are the key properties of 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole?
2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole has a molecular weight of 305.58 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64623863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).