(4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone

C15H18N2O2S — CID 105127206

IUPAC(4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H18N2O2S/c1-5-6-12-15(20-17-16-12)14(18)11-7-10(3)13(19-4)8-9(11)2/h7-8H,5-6H2,1-4H3
InChIKeyVKCSVRVBUGVXGP-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.35
Rot. Bonds5

About (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone

(4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 105127206) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID105127206
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H18N2O2S/c1-5-6-12-15(20-17-16-12)14(18)11-7-10(3)13(19-4)8-9(11)2/h7-8H,5-6H2,1-4H3
InChIKeyVKCSVRVBUGVXGP-UHFFFAOYSA-N
XLogP3.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone (CID 105127206) is (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is VKCSVRVBUGVXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-5-6-12-15(20-17-16-12)14(18)11-7-10(3)13(19-4)8-9(11)2/h7-8H,5-6H2,1-4H3.
What are the key properties of (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone?
(4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105127206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).