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

C9H10N2S2 — CID 130650382

IUPAC2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2cccs2)s1
InChIInChI=1S/C9H10N2S2/c1-2-4-8-10-11-9(13-8)7-5-3-6-12-7/h3,5-6H,2,4H2,1H3
InChIKeyNUXXFRWGXVLCRE-UHFFFAOYSA-N
MW210.33 g/mol
LogP3.22
Rot. Bonds3

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

2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole (PubChem CID 130650382) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole
PubChem CID130650382
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCCCc1nnc(-c2cccs2)s1
InChIInChI=1S/C9H10N2S2/c1-2-4-8-10-11-9(13-8)7-5-3-6-12-7/h3,5-6H,2,4H2,1H3
InChIKeyNUXXFRWGXVLCRE-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Thiophen-2-yl)-1,3,4-thiadiazol-2-amine
CID 644639
1,3,4-Thiadiazole, 2-amino-5-(2-thienyl)-, hydrochloride, hydrate
CID 11971459
2-(5-Thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
CID 45263064
2,5-Di(2-thienyl)-1,3,4-thiadiazole
CID 2750959
2,5-Bis(thiophen-2-yl)-1,3,4-selenadiazole
CID 21856252
2-(Difluoromethylsulfanyl)-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 17802268
2-Difluoromethylthio-5-thienyl-1,3,4-thiadiazole
CID 20025621
2-(Difluoromethylsulfanyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 20025625
2-Thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 66646630
2-(5-Thiophen-2-ylthiophen-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 66646937
2-(5-Thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine
CID 14140373
2-Chloro-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594413

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole (CID 130650382) is 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole is CCCc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is NUXXFRWGXVLCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-2-4-8-10-11-9(13-8)7-5-3-6-12-7/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole?
2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 210.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-thiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 130650382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).