2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide

C8H13N3OS — CID 143219892

IUPAC2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)c1nsc(C(C)C(N)=O)n1
InChIInChI=1S/C8H13N3OS/c1-4(2)7-10-8(13-11-7)5(3)6(9)12/h4-5H,1-3H3,(H2,9,12)
InChIKeyWDFUVRYTFNUKHH-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.25
Rot. Bonds3

About 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide

2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 143219892) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID143219892
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)c1nsc(C(C)C(N)=O)n1
InChIInChI=1S/C8H13N3OS/c1-4(2)7-10-8(13-11-7)5(3)6(9)12/h4-5H,1-3H3,(H2,9,12)
InChIKeyWDFUVRYTFNUKHH-UHFFFAOYSA-N
XLogP1.25
TPSA68.87 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide (CID 143219892) is 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide is CC(C)c1nsc(C(C)C(N)=O)n1.
What is the InChIKey of 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is WDFUVRYTFNUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-4(2)7-10-8(13-11-7)5(3)6(9)12/h4-5H,1-3H3,(H2,9,12).
What are the key properties of 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide?
2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 199.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 143219892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).