2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide

C10H16N4O2S2 — CID 802824

IUPAC2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide
SMILESCC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1
InChIInChI=1S/C10H16N4O2S2/c1-6(15)11-8-13-14-9(18-8)17-5-7(16)12-10(2,3)4/h5H2,1-4H3,(H,12,16)(H,11,13,15)
InChIKeyNTHDROUEJLGJDS-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.50
Rot. Bonds4

About 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide

2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide (PubChem CID 802824) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide
PubChem CID802824
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC Name2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide
SMILESCC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1
InChIInChI=1S/C10H16N4O2S2/c1-6(15)11-8-13-14-9(18-8)17-5-7(16)12-10(2,3)4/h5H2,1-4H3,(H,12,16)(H,11,13,15)
InChIKeyNTHDROUEJLGJDS-UHFFFAOYSA-N
XLogP1.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 1470506
N-[1-(5-Ethylsulfanyl-[1,3,4]thiadiazol-2-ylamino)-2,2,2-trifluoro-1-trifluoromethyl-ethyl]-acetamide
CID 1888413
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3220441
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
CID 836232
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 1863801
N-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 6919150
N-(5-((2-amino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)pivalamide
CID 6852049
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 351889
Cambridge id 6962708
CID 801760
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)pivalamide
CID 3591980
1-(Tert-butyl)-3-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)urea
CID 7385325
Ethyl 2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7385388

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide?
The IUPAC name of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide (CID 802824) is 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide is CC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1.
What is the InChIKey of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide?
The InChIKey is NTHDROUEJLGJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-6(15)11-8-13-14-9(18-8)17-5-7(16)12-10(2,3)4/h5H2,1-4H3,(H,12,16)(H,11,13,15).
What are the key properties of 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide?
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide has a molecular weight of 288.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-tert-butylacetamide is sourced from PubChem (CID 802824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).