N-[4-(thiadiazol-4-yl)hexyl]acetamide

C10H17N3OS — CID 174841417

IUPACN-[4-(thiadiazol-4-yl)hexyl]acetamide
SMILESCCC(CCCNC(C)=O)c1csnn1
InChIInChI=1S/C10H17N3OS/c1-3-9(10-7-15-13-12-10)5-4-6-11-8(2)14/h7,9H,3-6H2,1-2H3,(H,11,14)
InChIKeyPIKZJCFCWOTZPE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.95
Rot. Bonds6

About N-[4-(thiadiazol-4-yl)hexyl]acetamide

N-[4-(thiadiazol-4-yl)hexyl]acetamide (PubChem CID 174841417) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[4-(thiadiazol-4-yl)hexyl]acetamide.

Molecular Properties

Compound NameN-[4-(thiadiazol-4-yl)hexyl]acetamide
PubChem CID174841417
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[4-(thiadiazol-4-yl)hexyl]acetamide
SMILESCCC(CCCNC(C)=O)c1csnn1
InChIInChI=1S/C10H17N3OS/c1-3-9(10-7-15-13-12-10)5-4-6-11-8(2)14/h7,9H,3-6H2,1-2H3,(H,11,14)
InChIKeyPIKZJCFCWOTZPE-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(thiadiazol-4-yl)hexyl]acetamide?
The IUPAC name of N-[4-(thiadiazol-4-yl)hexyl]acetamide (CID 174841417) is N-[4-(thiadiazol-4-yl)hexyl]acetamide.
What is the SMILES notation for N-[4-(thiadiazol-4-yl)hexyl]acetamide?
The canonical SMILES for N-[4-(thiadiazol-4-yl)hexyl]acetamide is CCC(CCCNC(C)=O)c1csnn1.
What is the InChIKey of N-[4-(thiadiazol-4-yl)hexyl]acetamide?
The InChIKey is PIKZJCFCWOTZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-9(10-7-15-13-12-10)5-4-6-11-8(2)14/h7,9H,3-6H2,1-2H3,(H,11,14).
What are the key properties of N-[4-(thiadiazol-4-yl)hexyl]acetamide?
N-[4-(thiadiazol-4-yl)hexyl]acetamide has a molecular weight of 227.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiadiazol-4-yl)hexyl]acetamide is sourced from PubChem (CID 174841417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).