1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C11H15N3O3S — CID 28779319

IUPAC1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nnsc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H15N3O3S/c1-7-8(18-14-13-7)9(15)12-11(10(16)17)5-3-2-4-6-11/h2-6H2,1H3,(H,12,15)(H,16,17)
InChIKeyKKXYOTMSFFXRDF-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.36
Rot. Bonds3

About 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 28779319) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID28779319
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nnsc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H15N3O3S/c1-7-8(18-14-13-7)9(15)12-11(10(16)17)5-3-2-4-6-11/h2-6H2,1H3,(H,12,15)(H,16,17)
InChIKeyKKXYOTMSFFXRDF-UHFFFAOYSA-N
XLogP1.36
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 28779319) is 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1nnsc1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KKXYOTMSFFXRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7-8(18-14-13-7)9(15)12-11(10(16)17)5-3-2-4-6-11/h2-6H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 28779319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).