2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole

C9H10N2S3 — CID 23543430

IUPAC2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCc1ccc(CSc2nnc(C)s2)s1
InChIInChI=1S/C9H10N2S3/c1-6-3-4-8(13-6)5-12-9-11-10-7(2)14-9/h3-4H,5H2,1-2H3
InChIKeyCZRXVKPAKUYILG-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.51
Rot. Bonds3

About 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole

2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 23543430) has the molecular formula C9H10N2S3 and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole
PubChem CID23543430
Molecular FormulaC9H10N2S3
Molecular Weight242.39 g/mol
Exact Mass242.00
IUPAC Name2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole
SMILESCc1ccc(CSc2nnc(C)s2)s1
InChIInChI=1S/C9H10N2S3/c1-6-3-4-8(13-6)5-12-9-11-10-7(2)14-9/h3-4H,5H2,1-2H3
InChIKeyCZRXVKPAKUYILG-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-Bis-(1-thiophen-2-yl-ethylidene)-hydrazine
CID 5405580
1,2-Bis(1-(thiophen-2-yl)ethylidene)hydrazine
CID 5405581
2-(Thiophen-2-ylmethylsulfanyl)-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-thiadiazole
CID 23035397
2-Methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3,4-thiadiazole
CID 79325985
2-Propyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 130650382
2,5-Bis(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 233919
2-Methylsulfanyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 292715
Bis[1-(thiophen-2-YL)ethylidene]hydrazine
CID 300368
2-Methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 23543706
2-Pentyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 70520238
2-Methyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 70637289
2-Ethyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 101460114

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole (CID 23543430) is 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole is Cc1ccc(CSc2nnc(C)s2)s1.
What is the InChIKey of 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is CZRXVKPAKUYILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S3/c1-6-3-4-8(13-6)5-12-9-11-10-7(2)14-9/h3-4H,5H2,1-2H3.
What are the key properties of 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole?
2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 242.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methylthiophen-2-yl)methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 23543430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).