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

C7H11N3OS2 — CID 6919150

IUPACN-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(SC(C)C)s1
InChIInChI=1S/C7H11N3OS2/c1-4(2)12-7-10-9-6(13-7)8-5(3)11/h4H,1-3H3,(H,8,9,11)
InChIKeyFABHTEWWXFSBQK-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.00
Rot. Bonds3

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

N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 6919150) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID6919150
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC NameN-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(SC(C)C)s1
InChIInChI=1S/C7H11N3OS2/c1-4(2)12-7-10-9-6(13-7)8-5(3)11/h4H,1-3H3,(H,8,9,11)
InChIKeyFABHTEWWXFSBQK-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.00
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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Related Compounds

2-methyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3586064
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-2-hydroxyacetic acid
CID 175149624
N-[4-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 100756184
2-(4-methylphenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202119
(2S)-2-(4-methylphenyl)sulfanyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100636584
2-(4-phenylphenyl)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100517523
1-(3,4-dimethoxyphenyl)-3-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 7587717
3-(2,6-dichlorophenyl)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100604789
1-phenyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 100590163
N-tert-butyl-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 131207186
2-(4-methoxyphenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133163990
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100588216

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 6919150) is N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1nnc(SC(C)C)s1.
What is the InChIKey of N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FABHTEWWXFSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-4(2)12-7-10-9-6(13-7)8-5(3)11/h4H,1-3H3,(H,8,9,11).
What are the key properties of N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 217.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 6919150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).