2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole

C6H3ClN2S2 — CID 14091186

IUPAC2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESClc1nnc(-c2cccs2)s1
InChIInChI=1S/C6H3ClN2S2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H
InChIKeyLHUJCUVFVTYVIH-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.92
Rot. Bonds1

About 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole

2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole (PubChem CID 14091186) has the molecular formula C6H3ClN2S2 and a molecular weight of 202.69 g/mol. Its IUPAC name is 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole
PubChem CID14091186
Molecular FormulaC6H3ClN2S2
Molecular Weight202.69 g/mol
Exact Mass201.94
IUPAC Name2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESClc1nnc(-c2cccs2)s1
InChIInChI=1S/C6H3ClN2S2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H
InChIKeyLHUJCUVFVTYVIH-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-5-thiophen-2-yl-1,3,4-thiadiazole
CID 18708051
2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole
CID 63386076
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
CID 177007601
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 108783410
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
2-chloro-5-(thiadiazol-5-yl)-1,3,4-thiadiazole
CID 65215226
3-chloro-6-thiophen-2-ylpyridazine
CID 6404701
N-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108777792
2-chloroethyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744063
(E)-3-(3,4-dichlorophenyl)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 108766372
N-(6-chloro-5-nitropyrimidin-4-yl)-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108777796

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole (CID 14091186) is 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole is Clc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is LHUJCUVFVTYVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2S2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H.
What are the key properties of 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole?
2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 202.69 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-thiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 14091186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).