4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol

C10H11N3OS — CID 107648836

IUPAC4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol
SMILESCC(Nc1nncs1)c1ccc(O)cc1
InChIInChI=1S/C10H11N3OS/c1-7(12-10-13-11-6-15-10)8-2-4-9(14)5-3-8/h2-7,14H,1H3,(H,12,13)
InChIKeyWMDZNWWOVQOZNO-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.42
Rot. Bonds3

About 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol

4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol (PubChem CID 107648836) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol
PubChem CID107648836
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol
SMILESCC(Nc1nncs1)c1ccc(O)cc1
InChIInChI=1S/C10H11N3OS/c1-7(12-10-13-11-6-15-10)8-2-4-9(14)5-3-8/h2-7,14H,1H3,(H,12,13)
InChIKeyWMDZNWWOVQOZNO-UHFFFAOYSA-N
XLogP2.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol (CID 107648836) is 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol is CC(Nc1nncs1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol?
The InChIKey is WMDZNWWOVQOZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7(12-10-13-11-6-15-10)8-2-4-9(14)5-3-8/h2-7,14H,1H3,(H,12,13).
What are the key properties of 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol?
4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol has a molecular weight of 221.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3,4-thiadiazol-2-ylamino)ethyl]phenol is sourced from PubChem (CID 107648836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).