ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate

C9H12N2O2S — CID 15053551

IUPACethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC2CC2)n1
InChIInChI=1S/C9H12N2O2S/c1-2-13-8(12)7-5-14-9(11-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyWRPOUBFNFBYEOF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.89
Rot. Bonds4

About ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate (PubChem CID 15053551) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate
PubChem CID15053551
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Nameethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC2CC2)n1
InChIInChI=1S/C9H12N2O2S/c1-2-13-8(12)7-5-14-9(11-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11)
InChIKeyWRPOUBFNFBYEOF-UHFFFAOYSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate (CID 15053551) is ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC2CC2)n1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is WRPOUBFNFBYEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-13-8(12)7-5-14-9(11-7)10-6-3-4-6/h5-6H,2-4H2,1H3,(H,10,11).
What are the key properties of ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 212.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 15053551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).