4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid

C11H15ClN2O3S — CID 83152967

IUPAC4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1nc(Cl)cs1)C1COCC1C(=O)O
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-14(11-13-9(12)6-18-11)8-5-17-4-7(8)10(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyVXYXVKYMGJVLCO-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.11
Rot. Bonds5

About 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid

4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 83152967) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid
PubChem CID83152967
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1nc(Cl)cs1)C1COCC1C(=O)O
InChIInChI=1S/C11H15ClN2O3S/c1-2-3-14(11-13-9(12)6-18-11)8-5-17-4-7(8)10(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyVXYXVKYMGJVLCO-UHFFFAOYSA-N
XLogP2.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[propyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66252065
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959182
4-[(6-chloropyridazin-3-yl)-ethylamino]oxolane-3-carboxylic acid
CID 66247052
4-[(2-cyano-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66252252
4-[(5-carbamoyl-2-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66253038
4-[(6-ethoxypyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 66319006
4-(3-nitro-N-propylanilino)oxolane-3-carboxylic acid
CID 66253611
4-[(1-methyl-4-nitropyrazol-3-yl)-propylamino]oxolane-3-carboxylic acid
CID 103079363
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[(3-nitro-4-pyridinyl)-propylamino]oxolane-3-carboxylic acid
CID 66254191
4-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66245104

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid (CID 83152967) is 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid is CCCN(c1nc(Cl)cs1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is VXYXVKYMGJVLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-3-14(11-13-9(12)6-18-11)8-5-17-4-7(8)10(15)16/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid?
4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 290.77 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-thiazol-2-yl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 83152967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).