2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid

C8H12N4O3S — CID 114913207

IUPAC2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid
SMILESCC(C)(CNC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C8H12N4O3S/c1-8(2,6(13)14)4-9-7(15)11-5-3-10-12-16-5/h3H,4H2,1-2H3,(H,13,14)(H2,9,11,15)
InChIKeyNFKOXBWFPKGQHH-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.77
Rot. Bonds4

About 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid

2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid (PubChem CID 114913207) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid
PubChem CID114913207
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid
SMILESCC(C)(CNC(=O)Nc1cnns1)C(=O)O
InChIInChI=1S/C8H12N4O3S/c1-8(2,6(13)14)4-9-7(15)11-5-3-10-12-16-5/h3H,4H2,1-2H3,(H,13,14)(H2,9,11,15)
InChIKeyNFKOXBWFPKGQHH-UHFFFAOYSA-N
XLogP0.77
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 114913269
1-(3-chloropropyl)-3-(thiadiazol-5-yl)urea
CID 118947678
5,5-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)hexanoic acid
CID 114913212
1-(4-sulfanylbutyl)-3-(thiadiazol-5-yl)urea
CID 118947666
(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 104983000
2,2-dimethyl-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 115428267
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
2-[(2-methylpropan-2-yl)oxy]-N-(thiadiazol-5-yl)acetamide
CID 103282568
5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 114913031
2-methyl-4-oxo-2-phenyl-4-(thiadiazol-5-ylamino)butanoic acid
CID 114911796
1-phenyl-3-(thiadiazol-5-yl)urea;sulfane
CID 90028590
2-(thiadiazol-5-ylcarbamoylamino)butanedioic acid
CID 114913271

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid (CID 114913207) is 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid is CC(C)(CNC(=O)Nc1cnns1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The InChIKey is NFKOXBWFPKGQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-8(2,6(13)14)4-9-7(15)11-5-3-10-12-16-5/h3H,4H2,1-2H3,(H,13,14)(H2,9,11,15).
What are the key properties of 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid has a molecular weight of 244.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114913207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).