1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid

C11H16N4O3S — CID 106262326

IUPAC1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid
SMILESCC(C)Cc1nnc(NC(=O)N2CC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N4O3S/c1-6(2)3-8-13-14-10(19-8)12-11(18)15-4-7(5-15)9(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,14,18)
InChIKeyLOEUYTSALZZCQV-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.28
Rot. Bonds4

About 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid

1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid (PubChem CID 106262326) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid
PubChem CID106262326
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid
SMILESCC(C)Cc1nnc(NC(=O)N2CC(C(=O)O)C2)s1
InChIInChI=1S/C11H16N4O3S/c1-6(2)3-8-13-14-10(19-8)12-11(18)15-4-7(5-15)9(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,14,18)
InChIKeyLOEUYTSALZZCQV-UHFFFAOYSA-N
XLogP1.28
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 106262196
(3S,4S)-1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122074009
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]morpholine-4-carboxamide
CID 3389877
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ylacetamide
CID 19164251
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 138992387
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-(azetidin-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 114165511
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
CID 126807723
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid (CID 106262326) is 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid is CC(C)Cc1nnc(NC(=O)N2CC(C(=O)O)C2)s1.
What is the InChIKey of 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is LOEUYTSALZZCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-6(2)3-8-13-14-10(19-8)12-11(18)15-4-7(5-15)9(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)(H,12,14,18).
What are the key properties of 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid?
1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 106262326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).