4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid

C10H11NO2S2 — CID 86734074

IUPAC4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid
SMILESCc1ncsc1C.O=C(O)c1cccs1
InChIInChI=1S/C5H7NS.C5H4O2S/c1-4-5(2)7-3-6-4;6-5(7)4-2-1-3-8-4/h3H,1-2H3;1-3H,(H,6,7)
InChIKeyVAOOEKONVPCDCS-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.21
Rot. Bonds1

About 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid

4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid (PubChem CID 86734074) has the molecular formula C10H11NO2S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid
PubChem CID86734074
Molecular FormulaC10H11NO2S2
Molecular Weight241.34 g/mol
Exact Mass241.02
IUPAC Name4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid
SMILESCc1ncsc1C.O=C(O)c1cccs1
InChIInChI=1S/C5H7NS.C5H4O2S/c1-4-5(2)7-3-6-4;6-5(7)4-2-1-3-8-4/h3H,1-2H3;1-3H,(H,6,7)
InChIKeyVAOOEKONVPCDCS-UHFFFAOYSA-N
XLogP3.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid?
The IUPAC name of 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid (CID 86734074) is 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid is Cc1ncsc1C.O=C(O)c1cccs1.
What is the InChIKey of 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid?
The InChIKey is VAOOEKONVPCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C5H4O2S/c1-4-5(2)7-3-6-4;6-5(7)4-2-1-3-8-4/h3H,1-2H3;1-3H,(H,6,7).
What are the key properties of 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid?
4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid has a molecular weight of 241.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-thiazole;thiophene-2-carboxylic acid is sourced from PubChem (CID 86734074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).