2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole

C8H6Cl2N2S2 — CID 103406706

IUPAC2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1csc(-c2nnc(CCl)s2)c1Cl
InChIInChI=1S/C8H6Cl2N2S2/c1-4-3-13-7(6(4)10)8-12-11-5(2-9)14-8/h3H,2H2,1H3
InChIKeyGHYWWYYWOHYHKC-UHFFFAOYSA-N
MW265.19 g/mol
LogP3.97
Rot. Bonds2

About 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole

2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole (PubChem CID 103406706) has the molecular formula C8H6Cl2N2S2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole
PubChem CID103406706
Molecular FormulaC8H6Cl2N2S2
Molecular Weight265.19 g/mol
Exact Mass263.93
IUPAC Name2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1csc(-c2nnc(CCl)s2)c1Cl
InChIInChI=1S/C8H6Cl2N2S2/c1-4-3-13-7(6(4)10)8-12-11-5(2-9)14-8/h3H,2H2,1H3
InChIKeyGHYWWYYWOHYHKC-UHFFFAOYSA-N
XLogP3.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 103406787
3-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 103406729
2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole
CID 106754395
4-(chloromethyl)-2-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazole
CID 103404233
2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 103407386
2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole
CID 106690457
5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103408838
N-[[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]methyl]-2,6-dimethylaniline
CID 23462298
2-(chloromethyl)-5-iodo-1,3,4-thiadiazole
CID 133056070
2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 130978362
5-(3-chloro-4-methylthiophen-2-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 103400498
[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 103407154

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole (CID 103406706) is 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole is Cc1csc(-c2nnc(CCl)s2)c1Cl.
What is the InChIKey of 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole?
The InChIKey is GHYWWYYWOHYHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2S2/c1-4-3-13-7(6(4)10)8-12-11-5(2-9)14-8/h3H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole?
2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole has a molecular weight of 265.19 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 103406706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).