4-(5-tert-butylthiophen-2-yl)thiadiazole

C10H12N2S2 — CID 118946004

IUPAC4-(5-tert-butylthiophen-2-yl)thiadiazole
SMILESCC(C)(C)c1ccc(-c2csnn2)s1
InChIInChI=1S/C10H12N2S2/c1-10(2,3)9-5-4-8(14-9)7-6-13-12-11-7/h4-6H,1-3H3
InChIKeyPDWGACDTVOWVIQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.56
Rot. Bonds1

About 4-(5-tert-butylthiophen-2-yl)thiadiazole

4-(5-tert-butylthiophen-2-yl)thiadiazole (PubChem CID 118946004) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(5-tert-butylthiophen-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(5-tert-butylthiophen-2-yl)thiadiazole
PubChem CID118946004
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name4-(5-tert-butylthiophen-2-yl)thiadiazole
SMILESCC(C)(C)c1ccc(-c2csnn2)s1
InChIInChI=1S/C10H12N2S2/c1-10(2,3)9-5-4-8(14-9)7-6-13-12-11-7/h4-6H,1-3H3
InChIKeyPDWGACDTVOWVIQ-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylthiophen-2-yl)thiadiazole?
The IUPAC name of 4-(5-tert-butylthiophen-2-yl)thiadiazole (CID 118946004) is 4-(5-tert-butylthiophen-2-yl)thiadiazole.
What is the SMILES notation for 4-(5-tert-butylthiophen-2-yl)thiadiazole?
The canonical SMILES for 4-(5-tert-butylthiophen-2-yl)thiadiazole is CC(C)(C)c1ccc(-c2csnn2)s1.
What is the InChIKey of 4-(5-tert-butylthiophen-2-yl)thiadiazole?
The InChIKey is PDWGACDTVOWVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-10(2,3)9-5-4-8(14-9)7-6-13-12-11-7/h4-6H,1-3H3.
What are the key properties of 4-(5-tert-butylthiophen-2-yl)thiadiazole?
4-(5-tert-butylthiophen-2-yl)thiadiazole has a molecular weight of 224.35 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylthiophen-2-yl)thiadiazole is sourced from PubChem (CID 118946004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).