ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate

C9H14N2O2S — CID 11063796

IUPACethyl 2-(propylamino)-1,3-thiazole-5-carboxylate
SMILESCCCNc1ncc(C(=O)OCC)s1
InChIInChI=1S/C9H14N2O2S/c1-3-5-10-9-11-6-7(14-9)8(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyKMSGFTHYMJYYIC-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.14
Rot. Bonds5

About ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate

ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate (PubChem CID 11063796) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(propylamino)-1,3-thiazole-5-carboxylate
PubChem CID11063796
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-(propylamino)-1,3-thiazole-5-carboxylate
SMILESCCCNc1ncc(C(=O)OCC)s1
InChIInChI=1S/C9H14N2O2S/c1-3-5-10-9-11-6-7(14-9)8(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyKMSGFTHYMJYYIC-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate (CID 11063796) is ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate is CCCNc1ncc(C(=O)OCC)s1.
What is the InChIKey of ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is KMSGFTHYMJYYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-5-10-9-11-6-7(14-9)8(12)13-4-2/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate?
ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 11063796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).