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

C8H12N4O3S — CID 107567764

IUPAC(2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C8H12N4O3S/c1-2-3-5(7(13)14)10-8(15)11-6-4-9-12-16-6/h4-5H,2-3H2,1H3,(H,13,14)(H2,10,11,15)/t5-/m0/s1
InChIKeyRMAYTVHPAMABHL-YFKPBYRVSA-N
MW244.28 g/mol
LogP0.91
Rot. Bonds5

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

(2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid (PubChem CID 107567764) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
PubChem CID107567764
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name(2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@H](NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C8H12N4O3S/c1-2-3-5(7(13)14)10-8(15)11-6-4-9-12-16-6/h4-5H,2-3H2,1H3,(H,13,14)(H2,10,11,15)/t5-/m0/s1
InChIKeyRMAYTVHPAMABHL-YFKPBYRVSA-N
XLogP0.91
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid (CID 107567764) is (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid is CCC[C@H](NC(=O)Nc1cnns1)C(=O)O.
What is the InChIKey of (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
The InChIKey is RMAYTVHPAMABHL-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-2-3-5(7(13)14)10-8(15)11-6-4-9-12-16-6/h4-5H,2-3H2,1H3,(H,13,14)(H2,10,11,15)/t5-/m0/s1.
What are the key properties of (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid?
(2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid has a molecular weight of 244.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107567764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).