4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol

C15H15N3OS2 — CID 115945393

IUPAC4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol
SMILESCCNc1nnc(CSc2ccc(O)c3ccccc23)s1
InChIInChI=1S/C15H15N3OS2/c1-2-16-15-18-17-14(21-15)9-20-13-8-7-12(19)10-5-3-4-6-11(10)13/h3-8,19H,2,9H2,1H3,(H,16,18)
InChIKeyHXWIDKZBNKZASN-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.12
Rot. Bonds5

About 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol

4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol (PubChem CID 115945393) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol
PubChem CID115945393
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol
SMILESCCNc1nnc(CSc2ccc(O)c3ccccc23)s1
InChIInChI=1S/C15H15N3OS2/c1-2-16-15-18-17-14(21-15)9-20-13-8-7-12(19)10-5-3-4-6-11(10)13/h3-8,19H,2,9H2,1H3,(H,16,18)
InChIKeyHXWIDKZBNKZASN-UHFFFAOYSA-N
XLogP4.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol?
The IUPAC name of 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol (CID 115945393) is 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol?
The canonical SMILES for 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol is CCNc1nnc(CSc2ccc(O)c3ccccc23)s1.
What is the InChIKey of 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol?
The InChIKey is HXWIDKZBNKZASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-2-16-15-18-17-14(21-15)9-20-13-8-7-12(19)10-5-3-4-6-11(10)13/h3-8,19H,2,9H2,1H3,(H,16,18).
What are the key properties of 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol?
4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol has a molecular weight of 317.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]naphthalen-1-ol is sourced from PubChem (CID 115945393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).