5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid

C8H11N3O3S — CID 117214542

IUPAC5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1CN1CCOCC1
InChIInChI=1S/C8H11N3O3S/c12-8(13)7-6(15-10-9-7)5-11-1-3-14-4-2-11/h1-5H2,(H,12,13)
InChIKeyYGNJJFIVAQAWDC-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.07
Rot. Bonds3

About 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid

5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid (PubChem CID 117214542) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
PubChem CID117214542
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1CN1CCOCC1
InChIInChI=1S/C8H11N3O3S/c12-8(13)7-6(15-10-9-7)5-11-1-3-14-4-2-11/h1-5H2,(H,12,13)
InChIKeyYGNJJFIVAQAWDC-UHFFFAOYSA-N
XLogP0.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214540
5-(1,3-dihydroisoindol-2-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214525
4-(morpholine-4-carbonyl)thiadiazole-5-carboxylic acid
CID 117214913
5-[(cyclopropylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214530
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide
CID 94025961
4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 82227254
4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
CID 177335577
5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 103119231
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
(4-ethylthiadiazol-5-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124948128

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid (CID 117214542) is 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1CN1CCOCC1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid?
The InChIKey is YGNJJFIVAQAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-8(13)7-6(15-10-9-7)5-11-1-3-14-4-2-11/h1-5H2,(H,12,13).
What are the key properties of 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid?
5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).