2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

C13H15N3OS — CID 4182197

IUPAC2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C13H15N3OS/c1-13(2,3)11(17)15-12-14-10(16-18-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17)
InChIKeyTVBKSCGCXKYZFK-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.19
Rot. Bonds2

About 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 4182197) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID4182197
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C13H15N3OS/c1-13(2,3)11(17)15-12-14-10(16-18-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17)
InChIKeyTVBKSCGCXKYZFK-UHFFFAOYSA-N
XLogP3.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.19
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-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (CID 4182197) is 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is CC(C)(C)C(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is TVBKSCGCXKYZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-13(2,3)11(17)15-12-14-10(16-18-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,15,16,17).
What are the key properties of 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 261.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 4182197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).