5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

C13H14N2O3S2 — CID 79077068

IUPAC5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCN1CCOC(c2nc(-c3cc(C(=O)O)cs3)cs2)C1
InChIInChI=1S/C13H14N2O3S2/c1-15-2-3-18-10(5-15)12-14-9(7-20-12)11-4-8(6-19-11)13(16)17/h4,6-7,10H,2-3,5H2,1H3,(H,16,17)
InChIKeyLADUSAYMYFLCQL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.57
Rot. Bonds3

About 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid

5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 79077068) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
PubChem CID79077068
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
SMILESCN1CCOC(c2nc(-c3cc(C(=O)O)cs3)cs2)C1
InChIInChI=1S/C13H14N2O3S2/c1-15-2-3-18-10(5-15)12-14-9(7-20-12)11-4-8(6-19-11)13(16)17/h4,6-7,10H,2-3,5H2,1H3,(H,16,17)
InChIKeyLADUSAYMYFLCQL-UHFFFAOYSA-N
XLogP2.57
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid (CID 79077068) is 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is CN1CCOC(c2nc(-c3cc(C(=O)O)cs3)cs2)C1.
What is the InChIKey of 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is LADUSAYMYFLCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-15-2-3-18-10(5-15)12-14-9(7-20-12)11-4-8(6-19-11)13(16)17/h4,6-7,10H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid?
5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 79077068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).