3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid

C10H15N3O2S — CID 65209029

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nnc(NC2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C10H15N3O2S/c1-6-12-13-10(16-6)11-8-4-2-3-7(5-8)9(14)15/h7-8H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyUADYKSIILGBWHD-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.90
Rot. Bonds3

About 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid

3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65209029) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID65209029
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nnc(NC2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C10H15N3O2S/c1-6-12-13-10(16-6)11-8-4-2-3-7(5-8)9(14)15/h7-8H,2-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyUADYKSIILGBWHD-UHFFFAOYSA-N
XLogP1.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid (CID 65209029) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid is Cc1nnc(NC2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is UADYKSIILGBWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-12-13-10(16-6)11-8-4-2-3-7(5-8)9(14)15/h7-8H,2-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65209029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).