4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid

C9H11N3O3S — CID 56766689

IUPAC4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(=O)N2CCCC2)nsc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c10-5-6(11-16-7(5)9(14)15)8(13)12-3-1-2-4-12/h1-4,10H2,(H,14,15)
InChIKeyRHYKHSCMHMRKQK-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.66
Rot. Bonds2

About 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 56766689) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
PubChem CID56766689
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(=O)N2CCCC2)nsc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c10-5-6(11-16-7(5)9(14)15)8(13)12-3-1-2-4-12/h1-4,10H2,(H,14,15)
InChIKeyRHYKHSCMHMRKQK-UHFFFAOYSA-N
XLogP0.66
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (CID 56766689) is 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is Nc1c(C(=O)N2CCCC2)nsc1C(=O)O.
What is the InChIKey of 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is RHYKHSCMHMRKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-5-6(11-16-7(5)9(14)15)8(13)12-3-1-2-4-12/h1-4,10H2,(H,14,15).
What are the key properties of 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 56766689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).