2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid

C9H14N4O3S — CID 114913074

IUPAC2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C9H14N4O3S/c1-3-4-9(2,7(14)15)12-8(16)11-6-5-10-13-17-6/h5H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyLDNCNWDXUVEBCF-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.30
Rot. Bonds5

About 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid

2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid (PubChem CID 114913074) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
PubChem CID114913074
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C9H14N4O3S/c1-3-4-9(2,7(14)15)12-8(16)11-6-5-10-13-17-6/h5H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyLDNCNWDXUVEBCF-UHFFFAOYSA-N
XLogP1.30
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid (CID 114913074) is 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid is CCCC(C)(NC(=O)Nc1cnns1)C(=O)O.
What is the InChIKey of 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The InChIKey is LDNCNWDXUVEBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-3-4-9(2,7(14)15)12-8(16)11-6-5-10-13-17-6/h5H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid has a molecular weight of 258.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 114913074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).