ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate

C9H10N2O2S2 — CID 13032472

IUPACethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate
SMILESCCOC(=O)N1C=CSC1c1nccs1
InChIInChI=1S/C9H10N2O2S2/c1-2-13-9(12)11-4-6-15-8(11)7-10-3-5-14-7/h3-6,8H,2H2,1H3
InChIKeyFHLVSSKVAMUPAV-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.82
Rot. Bonds2

About ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate

ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate (PubChem CID 13032472) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.33 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate
PubChem CID13032472
Molecular FormulaC9H10N2O2S2
Molecular Weight242.33 g/mol
Exact Mass242.02
IUPAC Nameethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate
SMILESCCOC(=O)N1C=CSC1c1nccs1
InChIInChI=1S/C9H10N2O2S2/c1-2-13-9(12)11-4-6-15-8(11)7-10-3-5-14-7/h3-6,8H,2H2,1H3
InChIKeyFHLVSSKVAMUPAV-UHFFFAOYSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate?
The IUPAC name of ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate (CID 13032472) is ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate?
The canonical SMILES for ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate is CCOC(=O)N1C=CSC1c1nccs1.
What is the InChIKey of ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate?
The InChIKey is FHLVSSKVAMUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c1-2-13-9(12)11-4-6-15-8(11)7-10-3-5-14-7/h3-6,8H,2H2,1H3.
What are the key properties of ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate?
ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate has a molecular weight of 242.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-2-yl)-2H-1,3-thiazole-3-carboxylate is sourced from PubChem (CID 13032472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).