(4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone

C12H12N2O2S — CID 105097483

IUPAC(4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2csnn2)cc1
InChIInChI=1S/C12H12N2O2S/c1-8(2)16-10-5-3-9(4-6-10)12(15)11-7-17-14-13-11/h3-8H,1-2H3
InChIKeyQLVOPQSGJFUSOP-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.56
Rot. Bonds4

About (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone

(4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone (PubChem CID 105097483) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone
PubChem CID105097483
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2csnn2)cc1
InChIInChI=1S/C12H12N2O2S/c1-8(2)16-10-5-3-9(4-6-10)12(15)11-7-17-14-13-11/h3-8H,1-2H3
InChIKeyQLVOPQSGJFUSOP-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-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
2-propan-2-yloxy-1-(thiadiazol-4-yl)ethanone
CID 105117175
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
fluoro 4-propan-2-yloxybenzoate
CID 174701102
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 22111343
(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 82896310
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
(4-propan-2-yloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151932
(3-chlorophenyl)-(thiadiazol-4-yl)methanone
CID 105082748
2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100873

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone (CID 105097483) is (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone is CC(C)Oc1ccc(C(=O)c2csnn2)cc1.
What is the InChIKey of (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone?
The InChIKey is QLVOPQSGJFUSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8(2)16-10-5-3-9(4-6-10)12(15)11-7-17-14-13-11/h3-8H,1-2H3.
What are the key properties of (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone?
(4-propan-2-yloxyphenyl)-(thiadiazol-4-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 (4-propan-2-yloxyphenyl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 105097483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).