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

C7H4Cl2N2OS — CID 106690457

IUPAC2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole
SMILESClCc1nnc(-c2ccoc2Cl)s1
InChIInChI=1S/C7H4Cl2N2OS/c8-3-5-10-11-7(13-5)4-1-2-12-6(4)9/h1-2H,3H2
InChIKeyWZNRRVFKBJBOHK-UHFFFAOYSA-N
MW235.09 g/mol
LogP3.19
Rot. Bonds2

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

2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole (PubChem CID 106690457) has the molecular formula C7H4Cl2N2OS and a molecular weight of 235.09 g/mol. Its IUPAC name is 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole
PubChem CID106690457
Molecular FormulaC7H4Cl2N2OS
Molecular Weight235.09 g/mol
Exact Mass233.94
IUPAC Name2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole
SMILESClCc1nnc(-c2ccoc2Cl)s1
InChIInChI=1S/C7H4Cl2N2OS/c8-3-5-10-11-7(13-5)4-1-2-12-6(4)9/h1-2H,3H2
InChIKeyWZNRRVFKBJBOHK-UHFFFAOYSA-N
XLogP3.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 53.19
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

N-[[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 106690501
1-[5-(2-chlorofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 106690507
1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 106856382
2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole
CID 106754395
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
CID 106694860
4-chloro-3-[5-(2-chloroethyl)-1,3,4-thiadiazol-2-yl]phenol
CID 106503495
N-[[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 106856384
2-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 106856395
2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 103406706
N-[3-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 106856379
5-amino-2-(2-chlorofuran-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106694863
[5-(3-chloro-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 66473705

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole (CID 106690457) is 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole is ClCc1nnc(-c2ccoc2Cl)s1.
What is the InChIKey of 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole?
The InChIKey is WZNRRVFKBJBOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2OS/c8-3-5-10-11-7(13-5)4-1-2-12-6(4)9/h1-2H,3H2.
What are the key properties of 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole?
2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole has a molecular weight of 235.09 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorofuran-3-yl)-5-(chloromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 106690457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).