4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole

C10H10N2OS2 — CID 147785744

IUPAC4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole
SMILESC=C(OCc1cccs1)c1snnc1C
InChIInChI=1S/C10H10N2OS2/c1-7-10(15-12-11-7)8(2)13-6-9-4-3-5-14-9/h3-5H,2,6H2,1H3
InChIKeyHIQPYZHRDRETHV-UHFFFAOYSA-N
MW238.34 g/mol
LogP3.10
Rot. Bonds4

About 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole

4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole (PubChem CID 147785744) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole.

Molecular Properties

Compound Name4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole
PubChem CID147785744
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole
SMILESC=C(OCc1cccs1)c1snnc1C
InChIInChI=1S/C10H10N2OS2/c1-7-10(15-12-11-7)8(2)13-6-9-4-3-5-14-9/h3-5H,2,6H2,1H3
InChIKeyHIQPYZHRDRETHV-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Thiophen-2-ylmethyl 4-methylthiadiazole-5-carboxylate
CID 85735694
5-Chloro-4-(thiophen-2-ylmethoxymethyl)thiadiazole
CID 61524157
4-(2-Thiophen-2-ylethoxymethyl)thiadiazol-5-amine
CID 62188200
4-(Thiophen-2-ylmethoxymethyl)thiadiazol-5-amine
CID 62190124
[4-(Thiophen-2-ylmethoxymethyl)thiadiazol-5-yl]hydrazine
CID 62246742
(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
1-(4-Methylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087134
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087163
1-(4-Propylthiadiazol-5-yl)-2-thiophen-2-ylethanol
CID 105087181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole?
The IUPAC name of 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole (CID 147785744) is 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole.
What is the SMILES notation for 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole?
The canonical SMILES for 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole is C=C(OCc1cccs1)c1snnc1C.
What is the InChIKey of 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole?
The InChIKey is HIQPYZHRDRETHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-7-10(15-12-11-7)8(2)13-6-9-4-3-5-14-9/h3-5H,2,6H2,1H3.
What are the key properties of 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole?
4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole has a molecular weight of 238.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(thiophen-2-ylmethoxy)ethenyl]thiadiazole is sourced from PubChem (CID 147785744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).