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

C11H16N2O3S — CID 4108982

IUPACethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate
SMILESCCCCC(=O)Nc1nc(C(=O)OCC)cs1
InChIInChI=1S/C11H16N2O3S/c1-3-5-6-9(14)13-11-12-8(7-17-11)10(15)16-4-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyRGBJMFCOUHDQLJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.45
Rot. Bonds6

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

ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate (PubChem CID 4108982) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate
PubChem CID4108982
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate
SMILESCCCCC(=O)Nc1nc(C(=O)OCC)cs1
InChIInChI=1S/C11H16N2O3S/c1-3-5-6-9(14)13-11-12-8(7-17-11)10(15)16-4-2/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyRGBJMFCOUHDQLJ-UHFFFAOYSA-N
XLogP2.45
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 73216
CID 73216
CID 702548
CID 702548
CID 16192542
CID 16192542
CID 396823
CID 396823
CID 396824
CID 396824
CID 4133003
CID 4133003
CID 2326262
CID 2326262
CID 2349751
CID 2349751
CID 396822
CID 396822
CID 396826
CID 396826
CID 2326373
CID 2326373
CID 4067264
CID 4067264

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate (CID 4108982) is ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate is CCCCC(=O)Nc1nc(C(=O)OCC)cs1.
What is the InChIKey of ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is RGBJMFCOUHDQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-5-6-9(14)13-11-12-8(7-17-11)10(15)16-4-2/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pentanoylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4108982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).