2,2-dimethylpropanamide;thiadiazole

C7H13N3OS — CID 163684974

IUPAC2,2-dimethylpropanamide;thiadiazole
SMILESCC(C)(C)C(N)=O.c1csnn1
InChIInChI=1S/C5H11NO.C2H2N2S/c1-5(2,3)4(6)7;1-2-5-4-3-1/h1-3H3,(H2,6,7);1-2H
InChIKeyJOBIJTMVFHHKCP-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.06
Rot. Bonds

About 2,2-dimethylpropanamide;thiadiazole

2,2-dimethylpropanamide;thiadiazole (PubChem CID 163684974) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2,2-dimethylpropanamide;thiadiazole.

Molecular Properties

Compound Name2,2-dimethylpropanamide;thiadiazole
PubChem CID163684974
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2,2-dimethylpropanamide;thiadiazole
SMILESCC(C)(C)C(N)=O.c1csnn1
InChIInChI=1S/C5H11NO.C2H2N2S/c1-5(2,3)4(6)7;1-2-5-4-3-1/h1-3H3,(H2,6,7);1-2H
InChIKeyJOBIJTMVFHHKCP-UHFFFAOYSA-N
XLogP1.06
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanamide;thiadiazole?
The IUPAC name of 2,2-dimethylpropanamide;thiadiazole (CID 163684974) is 2,2-dimethylpropanamide;thiadiazole.
What is the SMILES notation for 2,2-dimethylpropanamide;thiadiazole?
The canonical SMILES for 2,2-dimethylpropanamide;thiadiazole is CC(C)(C)C(N)=O.c1csnn1.
What is the InChIKey of 2,2-dimethylpropanamide;thiadiazole?
The InChIKey is JOBIJTMVFHHKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H2N2S/c1-5(2,3)4(6)7;1-2-5-4-3-1/h1-3H3,(H2,6,7);1-2H.
What are the key properties of 2,2-dimethylpropanamide;thiadiazole?
2,2-dimethylpropanamide;thiadiazole has a molecular weight of 187.27 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanamide;thiadiazole is sourced from PubChem (CID 163684974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).