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

C8H7ClN2S2 — CID 65237877

IUPAC2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1cc(-c2nnc(Cl)s2)sc1C
InChIInChI=1S/C8H7ClN2S2/c1-4-3-6(12-5(4)2)7-10-11-8(9)13-7/h3H,1-2H3
InChIKeyQZZQVCBZTJCCGD-UHFFFAOYSA-N
MW230.75 g/mol
LogP3.54
Rot. Bonds1

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

2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole (PubChem CID 65237877) has the molecular formula C8H7ClN2S2 and a molecular weight of 230.75 g/mol. Its IUPAC name is 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole
PubChem CID65237877
Molecular FormulaC8H7ClN2S2
Molecular Weight230.75 g/mol
Exact Mass229.97
IUPAC Name2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1cc(-c2nnc(Cl)s2)sc1C
InChIInChI=1S/C8H7ClN2S2/c1-4-3-6(12-5(4)2)7-10-11-8(9)13-7/h3H,1-2H3
InChIKeyQZZQVCBZTJCCGD-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.75
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole (CID 65237877) is 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole is Cc1cc(-c2nnc(Cl)s2)sc1C.
What is the InChIKey of 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole?
The InChIKey is QZZQVCBZTJCCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S2/c1-4-3-6(12-5(4)2)7-10-11-8(9)13-7/h3H,1-2H3.
What are the key properties of 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole?
2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole has a molecular weight of 230.75 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,5-dimethylthiophen-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 65237877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).