4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol

C15H19N3O2S — CID 154781318

IUPAC4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol
SMILESCCOC1CC(N(C)c2nnc(-c3ccc(O)cc3)s2)C1
InChIInChI=1S/C15H19N3O2S/c1-3-20-13-8-11(9-13)18(2)15-17-16-14(21-15)10-4-6-12(19)7-5-10/h4-7,11,13,19H,3,8-9H2,1-2H3
InChIKeyBOFUKIYPVQGQNZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.91
Rot. Bonds5

About 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol

4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 154781318) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol
PubChem CID154781318
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol
SMILESCCOC1CC(N(C)c2nnc(-c3ccc(O)cc3)s2)C1
InChIInChI=1S/C15H19N3O2S/c1-3-20-13-8-11(9-13)18(2)15-17-16-14(21-15)10-4-6-12(19)7-5-10/h4-7,11,13,19H,3,8-9H2,1-2H3
InChIKeyBOFUKIYPVQGQNZ-UHFFFAOYSA-N
XLogP2.91
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol (CID 154781318) is 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol is CCOC1CC(N(C)c2nnc(-c3ccc(O)cc3)s2)C1.
What is the InChIKey of 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is BOFUKIYPVQGQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-20-13-8-11(9-13)18(2)15-17-16-14(21-15)10-4-6-12(19)7-5-10/h4-7,11,13,19H,3,8-9H2,1-2H3.
What are the key properties of 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol?
4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 305.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-ethoxycyclobutyl)-methylamino]-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 154781318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).