5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid

C10H17N5O3S — CID 114913502

IUPAC5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)Nc1nnns1
InChIInChI=1S/C10H17N5O3S/c1-10(2,3)5-6(4-7(16)17)11-8(18)12-9-13-14-15-19-9/h6H,4-5H2,1-3H3,(H,16,17)(H2,11,12,13,15,18)
InChIKeyMBEQHKTZYGUNFL-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.33
Rot. Bonds5

About 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid

5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid (PubChem CID 114913502) has the molecular formula C10H17N5O3S and a molecular weight of 287.35 g/mol. Its IUPAC name is 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid
PubChem CID114913502
Molecular FormulaC10H17N5O3S
Molecular Weight287.35 g/mol
Exact Mass287.11
IUPAC Name5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)Nc1nnns1
InChIInChI=1S/C10H17N5O3S/c1-10(2,3)5-6(4-7(16)17)11-8(18)12-9-13-14-15-19-9/h6H,4-5H2,1-3H3,(H,16,17)(H2,11,12,13,15,18)
InChIKeyMBEQHKTZYGUNFL-UHFFFAOYSA-N
XLogP1.33
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid (CID 114913502) is 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid is CC(C)(C)CC(CC(=O)O)NC(=O)Nc1nnns1.
What is the InChIKey of 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid?
The InChIKey is MBEQHKTZYGUNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c1-10(2,3)5-6(4-7(16)17)11-8(18)12-9-13-14-15-19-9/h6H,4-5H2,1-3H3,(H,16,17)(H2,11,12,13,15,18).
What are the key properties of 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid?
5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid has a molecular weight of 287.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(thiatriazol-5-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 114913502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).