(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid

C6H8N4O3S — CID 78972625

IUPAC(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)Nc1nncs1)C(=O)O
InChIInChI=1S/C6H8N4O3S/c1-3(4(11)12)8-5(13)9-6-10-7-2-14-6/h2-3H,1H3,(H,11,12)(H2,8,9,10,13)/t3-/m1/s1
InChIKeyWMDBMHHHUBEMCD-GSVOUGTGSA-N
MW216.22 g/mol
LogP0.13
Rot. Bonds3

About (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid

(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid (PubChem CID 78972625) has the molecular formula C6H8N4O3S and a molecular weight of 216.22 g/mol. Its IUPAC name is (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
PubChem CID78972625
Molecular FormulaC6H8N4O3S
Molecular Weight216.22 g/mol
Exact Mass216.03
IUPAC Name(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)Nc1nncs1)C(=O)O
InChIInChI=1S/C6H8N4O3S/c1-3(4(11)12)8-5(13)9-6-10-7-2-14-6/h2-3H,1H3,(H,11,12)(H2,8,9,10,13)/t3-/m1/s1
InChIKeyWMDBMHHHUBEMCD-GSVOUGTGSA-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

(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385
1-[(2S)-1-methoxypropan-2-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024683
(2R)-2-phenyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetic acid
CID 61193281
2-methyl-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 80540120
2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
CID 61193061
3-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]butanoic acid
CID 65217758
1-(1-pyrazol-1-ylpropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191680
(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 104983000
1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 61346278
(2S)-3-(1H-imidazol-5-yl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192360
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95977557

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid (CID 78972625) is (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid is C[C@@H](NC(=O)Nc1nncs1)C(=O)O.
What is the InChIKey of (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid?
The InChIKey is WMDBMHHHUBEMCD-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H8N4O3S/c1-3(4(11)12)8-5(13)9-6-10-7-2-14-6/h2-3H,1H3,(H,11,12)(H2,8,9,10,13)/t3-/m1/s1.
What are the key properties of (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid?
(2R)-2-(1,3,4-thiadiazol-2-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 (2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 78972625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).