(2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone

C12H12N2O2S — CID 105119964

IUPAC(2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1cnns1
InChIInChI=1S/C12H12N2O2S/c1-8(2)16-10-6-4-3-5-9(10)12(15)11-7-13-14-17-11/h3-8H,1-2H3
InChIKeyWWFFJMPENKFYPH-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.56
Rot. Bonds4

About (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone

(2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone (PubChem CID 105119964) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone
PubChem CID105119964
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1cnns1
InChIInChI=1S/C12H12N2O2S/c1-8(2)16-10-6-4-3-5-9(10)12(15)11-7-13-14-17-11/h3-8H,1-2H3
InChIKeyWWFFJMPENKFYPH-UHFFFAOYSA-N
XLogP2.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
CID 105119950
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953
(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
CID 116597562
3-(2-acetylphenoxy)butan-2-one
CID 82312052
(3-ethyl-6-methylpyridazin-4-yl)-(2-propan-2-yloxyphenyl)methanone
CID 105120129
cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 103449936
2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
CID 103446686

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone (CID 105119964) is (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone is CC(C)Oc1ccccc1C(=O)c1cnns1.
What is the InChIKey of (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone?
The InChIKey is WWFFJMPENKFYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8(2)16-10-6-4-3-5-9(10)12(15)11-7-13-14-17-11/h3-8H,1-2H3.
What are the key properties of (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone?
(2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone has a molecular weight of 248.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105119964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).