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

C6H8N4O3S — CID 104983000

IUPAC(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C6H8N4O3S/c1-3(5(11)12)8-6(13)9-4-2-7-10-14-4/h2-3H,1H3,(H,11,12)(H2,8,9,13)/t3-/m0/s1
InChIKeyIFKNKNARPDKQGY-VKHMYHEASA-N
MW216.22 g/mol
LogP0.13
Rot. Bonds3

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

(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid (PubChem CID 104983000) has the molecular formula C6H8N4O3S and a molecular weight of 216.22 g/mol. Its IUPAC name is (2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
PubChem CID104983000
Molecular FormulaC6H8N4O3S
Molecular Weight216.22 g/mol
Exact Mass216.03
IUPAC Name(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
SMILESC[C@H](NC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C6H8N4O3S/c1-3(5(11)12)8-6(13)9-4-2-7-10-14-4/h2-3H,1H3,(H,11,12)(H2,8,9,13)/t3-/m0/s1
InChIKeyIFKNKNARPDKQGY-VKHMYHEASA-N
XLogP0.13
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1,2,3-Thiadiazol-5-yl)ureidoacetic acid
CID 114913165
2-[Thiadiazol-5-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 114913199
3,3,3-Trifluoro-2-methyl-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 114913269
1-(1-Methoxypropan-2-yl)-3-(thiadiazol-5-yl)urea
CID 118947577
1-(1-Hydroxypropan-2-yl)-3-(thiadiazol-5-yl)urea
CID 118947734
1-Propan-2-yl-3-(thiadiazol-5-yl)urea
CID 103279682
(2R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 104982984
(2R)-2-(thiadiazol-5-ylcarbamoylamino)butanedioic acid
CID 104982987
(2S,3R)-3-hydroxy-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
CID 104982989
(2R)-4-methylsulfanyl-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
CID 104982992
(2S)-3-methyl-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 104982993
(2S)-3-methyl-2-(thiadiazol-5-ylcarbamoylamino)butanoic acid
CID 104982994

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid (CID 104983000) is (2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid is C[C@H](NC(=O)Nc1cnns1)C(=O)O.
What is the InChIKey of (2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The InChIKey is IFKNKNARPDKQGY-VKHMYHEASA-N. The full InChI is InChI=1S/C6H8N4O3S/c1-3(5(11)12)8-6(13)9-4-2-7-10-14-4/h2-3H,1H3,(H,11,12)(H2,8,9,13)/t3-/m0/s1.
What are the key properties of (2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid has a molecular weight of 216.22 g/mol, XLogP of 0.13, 3 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)propanoic acid is sourced from PubChem (CID 104983000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).