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

C11H18N4O3S — CID 114913212

IUPAC5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)Nc1cnns1
InChIInChI=1S/C11H18N4O3S/c1-11(2,3)5-7(4-9(16)17)13-10(18)14-8-6-12-15-19-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyVTLIPQUCTZMTFM-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.94
Rot. Bonds5

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

5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid (PubChem CID 114913212) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid
PubChem CID114913212
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)Nc1cnns1
InChIInChI=1S/C11H18N4O3S/c1-11(2,3)5-7(4-9(16)17)13-10(18)14-8-6-12-15-19-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyVTLIPQUCTZMTFM-UHFFFAOYSA-N
XLogP1.94
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 104982993
(3S)-5-methyl-3-[(thiadiazol-5-ylcarbamoylamino)methyl]hexanoic acid
CID 104982996
(2R)-4-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 104983004
4-[(Thiadiazol-5-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104983011
(2S)-4-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 104983013
(2R)-3,3-dimethyl-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
CID 104983017
(2S,3S)-3-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 104983022
(2S)-3,3-dimethyl-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
CID 104983024
3,3-Dimethyl-1-(thiadiazol-5-ylcarbamoyl)piperidine-2-carboxylic acid
CID 105577210
(2S)-2-(thiadiazol-5-ylcarbamoylamino)hexanoic acid
CID 107146641
4,4-Dimethyl-2-[(thiadiazol-5-ylcarbamoylamino)methyl]pentanoic acid
CID 107474750
(2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 107567764

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid (CID 114913212) is 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid is CC(C)(C)CC(CC(=O)O)NC(=O)Nc1cnns1.
What is the InChIKey of 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid?
The InChIKey is VTLIPQUCTZMTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-11(2,3)5-7(4-9(16)17)13-10(18)14-8-6-12-15-19-8/h6-7H,4-5H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid?
5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid has a molecular weight of 286.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 114913212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).