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

C6H8N4O3S — CID 61192939

IUPAC3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Nc1nncs1
InChIInChI=1S/C6H8N4O3S/c11-4(12)1-2-7-5(13)9-6-10-8-3-14-6/h3H,1-2H2,(H,11,12)(H2,7,9,10,13)
InChIKeyOMROZFAWZANHEZ-UHFFFAOYSA-N
MW216.22 g/mol
LogP0.13
Rot. Bonds4

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

3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid (PubChem CID 61192939) has the molecular formula C6H8N4O3S and a molecular weight of 216.22 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
PubChem CID61192939
Molecular FormulaC6H8N4O3S
Molecular Weight216.22 g/mol
Exact Mass216.03
IUPAC Name3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Nc1nncs1
InChIInChI=1S/C6H8N4O3S/c11-4(12)1-2-7-5(13)9-6-10-8-3-14-6/h3H,1-2H2,(H,11,12)(H2,7,9,10,13)
InChIKeyOMROZFAWZANHEZ-UHFFFAOYSA-N
XLogP0.13
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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

2-methyl-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 80540120
3-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]butanoic acid
CID 65217758
1-[2-(4-methoxyphenyl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30854193
3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074704
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoic acid
CID 122074663
2-phenyl-3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 62878500
1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
CID 770809
1-[(2R)-2-hydroxy-4-methylpentyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95977557
3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122091221
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95975570
1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51106245

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid (CID 61192939) is 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)Nc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid?
The InChIKey is OMROZFAWZANHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3S/c11-4(12)1-2-7-5(13)9-6-10-8-3-14-6/h3H,1-2H2,(H,11,12)(H2,7,9,10,13).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid?
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid has a molecular weight of 216.22 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61192939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).