2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid

C9H7NO3S2 — CID 164662336

IUPAC2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid
SMILESCOc1nc(-c2sccc2C(=O)O)cs1
InChIInChI=1S/C9H7NO3S2/c1-13-9-10-6(4-15-9)7-5(8(11)12)2-3-14-7/h2-4H,1H3,(H,11,12)
InChIKeyJTWBHNQNFVDPNZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.58
Rot. Bonds3

About 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid

2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid (PubChem CID 164662336) has the molecular formula C9H7NO3S2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid
PubChem CID164662336
Molecular FormulaC9H7NO3S2
Molecular Weight241.29 g/mol
Exact Mass240.99
IUPAC Name2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid
SMILESCOc1nc(-c2sccc2C(=O)O)cs1
InChIInChI=1S/C9H7NO3S2/c1-13-9-10-6(4-15-9)7-5(8(11)12)2-3-14-7/h2-4H,1H3,(H,11,12)
InChIKeyJTWBHNQNFVDPNZ-UHFFFAOYSA-N
XLogP2.58
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid (CID 164662336) is 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid is COc1nc(-c2sccc2C(=O)O)cs1.
What is the InChIKey of 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid?
The InChIKey is JTWBHNQNFVDPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S2/c1-13-9-10-6(4-15-9)7-5(8(11)12)2-3-14-7/h2-4H,1H3,(H,11,12).
What are the key properties of 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid?
2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-1,3-thiazol-4-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 164662336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).