(5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone

C11H12N2OS2 — CID 105106059

IUPAC(5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)c1csc(C)c1
InChIInChI=1S/C11H12N2OS2/c1-3-4-9-11(16-13-12-9)10(14)8-5-7(2)15-6-8/h5-6H,3-4H2,1-2H3
InChIKeyLOCFSYQULRXNNB-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.09
Rot. Bonds4

About (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone

(5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 105106059) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID105106059
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name(5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)c1csc(C)c1
InChIInChI=1S/C11H12N2OS2/c1-3-4-9-11(16-13-12-9)10(14)8-5-7(2)15-6-8/h5-6H,3-4H2,1-2H3
InChIKeyLOCFSYQULRXNNB-UHFFFAOYSA-N
XLogP3.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone (CID 105106059) is (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)c1csc(C)c1.
What is the InChIKey of (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is LOCFSYQULRXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-3-4-9-11(16-13-12-9)10(14)8-5-7(2)15-6-8/h5-6H,3-4H2,1-2H3.
What are the key properties of (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone?
(5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105106059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).