N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide

C9H15N3OS — CID 67953665

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H15N3OS/c1-5-6(13)10-8-11-7(12-14-8)9(2,3)4/h5H2,1-4H3,(H,10,11,12,13)
InChIKeyLKNXNPBIRLFLHE-UHFFFAOYSA-N
MW213.31 g/mol
LogP2.18
Rot. Bonds2

About N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 67953665) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID67953665
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H15N3OS/c1-5-6(13)10-8-11-7(12-14-8)9(2,3)4/h5H2,1-4H3,(H,10,11,12,13)
InChIKeyLKNXNPBIRLFLHE-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(3-methyl(1,2,4-thiadiazol-5-yl))butanamide
CID 16455953
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pent-4-enamide
CID 132374555
3,3,3-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 132295509
3,3,3-trifluoro-N-[3-(1-methylcyclopropyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 132322154
4,4,4-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 154739989
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-fluoroprop-2-enamide
CID 167934126
5-Propionamido-3-Trichloromethyl-1,2,4-Thiadiazole
CID 12851605
N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 20719842
N-(3-methyl-1,2,4-thiadiazol-5-yl)pentanamide
CID 20719844
N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 20719845
Methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458527
N-[3-(2-Oxoethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 21458541

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide (CID 67953665) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide is CCC(=O)Nc1nc(C(C)(C)C)ns1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is LKNXNPBIRLFLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-5-6(13)10-8-11-7(12-14-8)9(2,3)4/h5H2,1-4H3,(H,10,11,12,13).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 213.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 67953665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).