(2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone

C15H18N2O2S — CID 106682020

IUPAC(2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1snnc1C(C)C
InChIInChI=1S/C15H18N2O2S/c1-8(2)13-15(20-17-16-13)14(18)12-10(4)6-9(3)7-11(12)19-5/h6-8H,1-5H3
InChIKeyGUMLQIXHJJKEHW-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.52
Rot. Bonds4

About (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone

(2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 106682020) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID106682020
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1snnc1C(C)C
InChIInChI=1S/C15H18N2O2S/c1-8(2)13-15(20-17-16-13)14(18)12-10(4)6-9(3)7-11(12)19-5/h6-8H,1-5H3
InChIKeyGUMLQIXHJJKEHW-UHFFFAOYSA-N
XLogP3.52
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 106883369
(2,5-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105085743
(2,6-difluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105101004
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105133140
(2-fluoro-4,6-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanone
CID 106883260
(3,5-dimethyl-2-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680077
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 106681878
(2-methylthiophen-3-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 102840188
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
1-(4-propan-2-ylthiadiazol-5-yl)prop-2-yn-1-one
CID 105108280
3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 106681729

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 106682020) is (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is COc1cc(C)cc(C)c1C(=O)c1snnc1C(C)C.
What is the InChIKey of (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is GUMLQIXHJJKEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-8(2)13-15(20-17-16-13)14(18)12-10(4)6-9(3)7-11(12)19-5/h6-8H,1-5H3.
What are the key properties of (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone?
(2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethylphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 106682020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).