(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone

C14H16N2OS — CID 105097609

IUPAC(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone
SMILESCCc1nnsc1C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H16N2OS/c1-4-12-14(18-16-15-12)13(17)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3
InChIKeyVNOUPZZJDBAXRW-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.45
Rot. Bonds4

About (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone

(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 105097609) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID105097609
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone
SMILESCCc1nnsc1C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H16N2OS/c1-4-12-14(18-16-15-12)13(17)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3
InChIKeyVNOUPZZJDBAXRW-UHFFFAOYSA-N
XLogP3.45
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone (CID 105097609) is (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone is CCc1nnsc1C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is VNOUPZZJDBAXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-12-14(18-16-15-12)13(17)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone?
(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 260.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 105097609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).