2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid

C14H24N4O2S — CID 122061828

IUPAC2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C14H24N4O2S/c1-5-18(8-11(19)20)10-6-9(7-10)15-13-17-16-12(21-13)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyIZOGLXPWCWAEGE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.18
Rot. Bonds6

About 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122061828) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122061828
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C14H24N4O2S/c1-5-18(8-11(19)20)10-6-9(7-10)15-13-17-16-12(21-13)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyIZOGLXPWCWAEGE-UHFFFAOYSA-N
XLogP2.18
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid (CID 122061828) is 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(Nc2nnc(C(C)(C)C)s2)C1.
What is the InChIKey of 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is IZOGLXPWCWAEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-18(8-11(19)20)10-6-9(7-10)15-13-17-16-12(21-13)14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 312.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122061828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).