5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid

C12H19N3O3S — CID 82854225

IUPAC5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C12H19N3O3S/c1-7(2)10-11(19-15-14-10)12(18)13-8(3)5-4-6-9(16)17/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyLJSAKGNJCVBSQP-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.03
Rot. Bonds7

About 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid

5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 82854225) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
PubChem CID82854225
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)c1snnc1C(C)C
InChIInChI=1S/C12H19N3O3S/c1-7(2)10-11(19-15-14-10)12(18)13-8(3)5-4-6-9(16)17/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyLJSAKGNJCVBSQP-UHFFFAOYSA-N
XLogP2.03
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid (CID 82854225) is 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)c1snnc1C(C)C.
What is the InChIKey of 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is LJSAKGNJCVBSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7(2)10-11(19-15-14-10)12(18)13-8(3)5-4-6-9(16)17/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid?
5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82854225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).