(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone

C11H12N2OS2 — CID 102840188

IUPAC(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCc1sccc1C(=O)c1snnc1C(C)C
InChIInChI=1S/C11H12N2OS2/c1-6(2)9-11(16-13-12-9)10(14)8-4-5-15-7(8)3/h4-6H,1-3H3
InChIKeyOQGAKCGLBCXANJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.26
Rot. Bonds3

About (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone

(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 102840188) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID102840188
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCc1sccc1C(=O)c1snnc1C(C)C
InChIInChI=1S/C11H12N2OS2/c1-6(2)9-11(16-13-12-9)10(14)8-4-5-15-7(8)3/h4-6H,1-3H3
InChIKeyOQGAKCGLBCXANJ-UHFFFAOYSA-N
XLogP3.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 102840188) is (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone is Cc1sccc1C(=O)c1snnc1C(C)C.
What is the InChIKey of (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is OQGAKCGLBCXANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-6(2)9-11(16-13-12-9)10(14)8-4-5-15-7(8)3/h4-6H,1-3H3.
What are the key properties of (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 102840188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).