1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid

C10H10N6O3S — CID 79309150

IUPAC1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESNc1nc(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)cs1
InChIInChI=1S/C10H10N6O3S/c11-10-12-7(4-20-10)8(17)15-1-5(2-15)16-3-6(9(18)19)13-14-16/h3-5H,1-2H2,(H2,11,12)(H,18,19)
InChIKeyOPUPAOOPSCVTGH-UHFFFAOYSA-N
MW294.30 g/mol
LogP-0.29
Rot. Bonds3

About 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79309150) has the molecular formula C10H10N6O3S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79309150
Molecular FormulaC10H10N6O3S
Molecular Weight294.30 g/mol
Exact Mass294.05
IUPAC Name1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESNc1nc(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)cs1
InChIInChI=1S/C10H10N6O3S/c11-10-12-7(4-20-10)8(17)15-1-5(2-15)16-3-6(9(18)19)13-14-16/h3-5H,1-2H2,(H2,11,12)(H,18,19)
InChIKeyOPUPAOOPSCVTGH-UHFFFAOYSA-N
XLogP-0.29
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-(2-tert-butyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]triazole-4-carboxylic acid
CID 126824714
1-[1-(5-fluoropyridine-2-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 104638330
1-[1-(5-bromopyridine-2-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309369
2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116682305
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642
1-[1-(3,4-dimethylpyrrolidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311104
1-[1-(4-aminopiperidine-1-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311493
1-[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310641
1-[1-(2-amino-2-thiophen-2-ylacetyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 115287483
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408809

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79309150) is 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid is Nc1nc(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)cs1.
What is the InChIKey of 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is OPUPAOOPSCVTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3S/c11-10-12-7(4-20-10)8(17)15-1-5(2-15)16-3-6(9(18)19)13-14-16/h3-5H,1-2H2,(H2,11,12)(H,18,19).
What are the key properties of 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 294.30 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79309150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).