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

C10H17N3OS2 — CID 3591980

IUPAC2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)Sc1nnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C10H17N3OS2/c1-6(2)15-9-13-12-8(16-9)11-7(14)10(3,4)5/h6H,1-5H3,(H,11,12,14)
InChIKeyKVECVHIDPRLQQQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.02
Rot. Bonds3

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

2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 3591980) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID3591980
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)Sc1nnc(NC(=O)C(C)(C)C)s1
InChIInChI=1S/C10H17N3OS2/c1-6(2)15-9-13-12-8(16-9)11-7(14)10(3,4)5/h6H,1-5H3,(H,11,12,14)
InChIKeyKVECVHIDPRLQQQ-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide (CID 3591980) is 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide is CC(C)Sc1nnc(NC(=O)C(C)(C)C)s1.
What is the InChIKey of 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is KVECVHIDPRLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-6(2)15-9-13-12-8(16-9)11-7(14)10(3,4)5/h6H,1-5H3,(H,11,12,14).
What are the key properties of 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide?
2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 259.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 3591980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).