2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole

C10H8Cl2N2OS — CID 80607272

IUPAC2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
SMILESClc1cccc(COCc2nnc(Cl)s2)c1
InChIInChI=1S/C10H8Cl2N2OS/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2
InChIKeyXDACXSFHOBTARF-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole

2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole (PubChem CID 80607272) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
PubChem CID80607272
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
SMILESClc1cccc(COCc2nnc(Cl)s2)c1
InChIInChI=1S/C10H8Cl2N2OS/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2
InChIKeyXDACXSFHOBTARF-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
[4-[(3-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438691
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774791
2-chloro-5-[(2-fluorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80606532
5-[(3-bromophenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 82832131
2-[(3-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 65126522
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253711
5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608923
2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
CID 77056910
2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole
CID 63386259
3-[5-[(3-chlorophenyl)methoxymethyl]thiophen-2-yl]prop-2-enoic acid
CID 77056893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole (CID 80607272) is 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole is Clc1cccc(COCc2nnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole?
The InChIKey is XDACXSFHOBTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2.
What are the key properties of 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole?
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole has a molecular weight of 275.16 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80607272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).