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

C16H18N2OS — CID 105135149

IUPAC(3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H18N2OS/c1-2-5-14-16(20-18-17-14)15(19)13-9-4-8-12(10-13)11-6-3-7-11/h4,8-11H,2-3,5-7H2,1H3
InChIKeyKIWHSZUEUDKSDN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.99
Rot. Bonds5

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

(3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 105135149) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID105135149
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H18N2OS/c1-2-5-14-16(20-18-17-14)15(19)13-9-4-8-12(10-13)11-6-3-7-11/h4,8-11H,2-3,5-7H2,1H3
InChIKeyKIWHSZUEUDKSDN-UHFFFAOYSA-N
XLogP3.99
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone (CID 105135149) is (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is KIWHSZUEUDKSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-5-14-16(20-18-17-14)15(19)13-9-4-8-12(10-13)11-6-3-7-11/h4,8-11H,2-3,5-7H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone?
(3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 286.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105135149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).