2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide

C8H13N3OS — CID 130634806

IUPAC2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide
SMILESCCC(C)(C)C(=O)Nc1ncns1
InChIInChI=1S/C8H13N3OS/c1-4-8(2,3)6(12)11-7-9-5-10-13-7/h5H,4H2,1-3H3,(H,9,10,11,12)
InChIKeyCBAVUMSCMFALAR-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.91
Rot. Bonds3

About 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide

2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide (PubChem CID 130634806) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide
PubChem CID130634806
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide
SMILESCCC(C)(C)C(=O)Nc1ncns1
InChIInChI=1S/C8H13N3OS/c1-4-8(2,3)6(12)11-7-9-5-10-13-7/h5H,4H2,1-3H3,(H,9,10,11,12)
InChIKeyCBAVUMSCMFALAR-UHFFFAOYSA-N
XLogP1.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide (CID 130634806) is 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide is CCC(C)(C)C(=O)Nc1ncns1.
What is the InChIKey of 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide?
The InChIKey is CBAVUMSCMFALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-4-8(2,3)6(12)11-7-9-5-10-13-7/h5H,4H2,1-3H3,(H,9,10,11,12).
What are the key properties of 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide?
2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide has a molecular weight of 199.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,2,4-thiadiazol-5-yl)butanamide is sourced from PubChem (CID 130634806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).