2-methyl-1-(thiadiazol-4-yl)propan-1-one

C6H8N2OS — CID 91334070

IUPAC2-methyl-1-(thiadiazol-4-yl)propan-1-one
SMILESCC(C)C(=O)c1csnn1
InChIInChI=1S/C6H8N2OS/c1-4(2)6(9)5-3-10-8-7-5/h3-4H,1-2H3
InChIKeyOGAOISGQYCIDCM-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.38
Rot. Bonds2

About 2-methyl-1-(thiadiazol-4-yl)propan-1-one

2-methyl-1-(thiadiazol-4-yl)propan-1-one (PubChem CID 91334070) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-methyl-1-(thiadiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(thiadiazol-4-yl)propan-1-one
PubChem CID91334070
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-methyl-1-(thiadiazol-4-yl)propan-1-one
SMILESCC(C)C(=O)c1csnn1
InChIInChI=1S/C6H8N2OS/c1-4(2)6(9)5-3-10-8-7-5/h3-4H,1-2H3
InChIKeyOGAOISGQYCIDCM-UHFFFAOYSA-N
XLogP1.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thiadiazol-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(thiadiazol-4-yl)propan-1-one (CID 91334070) is 2-methyl-1-(thiadiazol-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(thiadiazol-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(thiadiazol-4-yl)propan-1-one is CC(C)C(=O)c1csnn1.
What is the InChIKey of 2-methyl-1-(thiadiazol-4-yl)propan-1-one?
The InChIKey is OGAOISGQYCIDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4(2)6(9)5-3-10-8-7-5/h3-4H,1-2H3.
What are the key properties of 2-methyl-1-(thiadiazol-4-yl)propan-1-one?
2-methyl-1-(thiadiazol-4-yl)propan-1-one has a molecular weight of 156.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thiadiazol-4-yl)propan-1-one is sourced from PubChem (CID 91334070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).