4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

C11H16N4O3S — CID 104983011

IUPAC4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)CC1)Nc1cnns1
InChIInChI=1S/C11H16N4O3S/c16-10(17)8-3-1-7(2-4-8)5-12-11(18)14-9-6-13-15-19-9/h6-8H,1-5H2,(H,16,17)(H2,12,14,18)
InChIKeyLBWONHHPHUSNCZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.55
Rot. Bonds4

About 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 104983011) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID104983011
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)CC1)Nc1cnns1
InChIInChI=1S/C11H16N4O3S/c16-10(17)8-3-1-7(2-4-8)5-12-11(18)14-9-6-13-15-19-9/h6-8H,1-5H2,(H,16,17)(H2,12,14,18)
InChIKeyLBWONHHPHUSNCZ-UHFFFAOYSA-N
XLogP1.55
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 104983011) is 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NCC1CCC(C(=O)O)CC1)Nc1cnns1.
What is the InChIKey of 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is LBWONHHPHUSNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c16-10(17)8-3-1-7(2-4-8)5-12-11(18)14-9-6-13-15-19-9/h6-8H,1-5H2,(H,16,17)(H2,12,14,18).
What are the key properties of 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104983011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).