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

C15H16N2O2S — CID 105134513

IUPAC(3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H16N2O2S/c1-9(2)13-15(20-17-16-13)14(18)10-4-3-5-12(8-10)19-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3
InChIKeyDNSDOTUMRGXXHN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.43
Rot. Bonds5

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

(3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 105134513) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID105134513
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C15H16N2O2S/c1-9(2)13-15(20-17-16-13)14(18)10-4-3-5-12(8-10)19-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3
InChIKeyDNSDOTUMRGXXHN-UHFFFAOYSA-N
XLogP3.43
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
1-(3-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114521136
(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197
(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105134467
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838
4-amino-1-(3-cyclopropyloxyphenyl)-3-methylbutan-1-one
CID 114523847
[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523778
(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 114521254

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 105134513) is (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is DNSDOTUMRGXXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9(2)13-15(20-17-16-13)14(18)10-4-3-5-12(8-10)19-11-6-7-11/h3-5,8-9,11H,6-7H2,1-2H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
(3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 288.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 105134513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).