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

C9H6Cl2N2S — CID 63386452

IUPAC2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
SMILESClc1cccc(Cc2nnc(Cl)s2)c1
InChIInChI=1S/C9H6Cl2N2S/c10-7-3-1-2-6(4-7)5-8-12-13-9(11)14-8/h1-4H,5H2
InChIKeyODYXTGUDQDZIBA-UHFFFAOYSA-N
MW245.13 g/mol
LogP3.44
Rot. Bonds2

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

2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole (PubChem CID 63386452) has the molecular formula C9H6Cl2N2S and a molecular weight of 245.13 g/mol. Its IUPAC name is 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
PubChem CID63386452
Molecular FormulaC9H6Cl2N2S
Molecular Weight245.13 g/mol
Exact Mass243.96
IUPAC Name2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
SMILESClc1cccc(Cc2nnc(Cl)s2)c1
InChIInChI=1S/C9H6Cl2N2S/c10-7-3-1-2-6(4-7)5-8-12-13-9(11)14-8/h1-4H,5H2
InChIKeyODYXTGUDQDZIBA-UHFFFAOYSA-N
XLogP3.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552
2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole
CID 63386125
2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride
CID 119336923
(2S,3R,4S,5S,6R)-2-[[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46221350
2-chloro-5-[2-(3-methylphenyl)ethyl]-1,3,4-thiadiazole
CID 63386259
(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 119336943
1-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091371
5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82422602
7-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
CID 119807008
N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-3-yl)acetamide
CID 71993973
5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine
CID 67119709

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole (CID 63386452) is 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole is Clc1cccc(Cc2nnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole?
The InChIKey is ODYXTGUDQDZIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S/c10-7-3-1-2-6(4-7)5-8-12-13-9(11)14-8/h1-4H,5H2.
What are the key properties of 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole?
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole has a molecular weight of 245.13 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 63386452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).