4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one

C11H18N2O2S — CID 105131662

IUPAC4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one
SMILESCOCCC(C)C(=O)c1snnc1C(C)C
InChIInChI=1S/C11H18N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8(3)5-6-15-4/h7-8H,5-6H2,1-4H3
InChIKeyLHOBMCSFTJFZQG-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.52
Rot. Bonds6

About 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one

4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one (PubChem CID 105131662) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one
PubChem CID105131662
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one
SMILESCOCCC(C)C(=O)c1snnc1C(C)C
InChIInChI=1S/C11H18N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8(3)5-6-15-4/h7-8H,5-6H2,1-4H3
InChIKeyLHOBMCSFTJFZQG-UHFFFAOYSA-N
XLogP2.52
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-hydroxy-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoate
CID 114283611
N-(1-amino-2,3-dimethylbutan-2-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 115310485
N-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylthiadiazole-5-carboxamide
CID 82725593
2-methoxy-3-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
CID 114144262
N-(2-amino-2-sulfanylideneethyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204663
[4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butyl]hydrazine
CID 105338088
5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one
CID 116592684
methyl 2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoate
CID 65204200
4-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65206855
N-(1-hydroxypentan-3-yl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 113496232
5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
CID 82854225
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 107868025

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one?
The IUPAC name of 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one (CID 105131662) is 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one?
The canonical SMILES for 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one is COCCC(C)C(=O)c1snnc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one?
The InChIKey is LHOBMCSFTJFZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)9-11(16-13-12-9)10(14)8(3)5-6-15-4/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one?
4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one has a molecular weight of 242.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-(4-propan-2-ylthiadiazol-5-yl)butan-1-one is sourced from PubChem (CID 105131662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).