2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C14H16N4OS2 — CID 90647251

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESNc1nnc(SCC(=O)NC2CCc3ccccc3C2)s1
InChIInChI=1S/C14H16N4OS2/c15-13-17-18-14(21-13)20-8-12(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-8H2,(H2,15,17)(H,16,19)
InChIKeyHLLNBBWWSGOPMQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.89
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 90647251) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID90647251
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESNc1nnc(SCC(=O)NC2CCc3ccccc3C2)s1
InChIInChI=1S/C14H16N4OS2/c15-13-17-18-14(21-13)20-8-12(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-8H2,(H2,15,17)(H,16,19)
InChIKeyHLLNBBWWSGOPMQ-UHFFFAOYSA-N
XLogP1.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 90647251) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is Nc1nnc(SCC(=O)NC2CCc3ccccc3C2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is HLLNBBWWSGOPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c15-13-17-18-14(21-13)20-8-12(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-8H2,(H2,15,17)(H,16,19).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 90647251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).