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

C14H24N2O2S — CID 10880622

IUPACethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate
SMILESCCCCN(CCCC)c1ncc(C(=O)OCC)s1
InChIInChI=1S/C14H24N2O2S/c1-4-7-9-16(10-8-5-2)14-15-11-12(19-14)13(17)18-6-3/h11H,4-10H2,1-3H3
InChIKeyAYCLAVQXTIGBLM-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.73
Rot. Bonds9

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

ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate (PubChem CID 10880622) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate
PubChem CID10880622
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Nameethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate
SMILESCCCCN(CCCC)c1ncc(C(=O)OCC)s1
InChIInChI=1S/C14H24N2O2S/c1-4-7-9-16(10-8-5-2)14-15-11-12(19-14)13(17)18-6-3/h11H,4-10H2,1-3H3
InChIKeyAYCLAVQXTIGBLM-UHFFFAOYSA-N
XLogP3.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-aminothiazole-5-carboxylate
CID 238005
Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
2-Amino-thiazole-5-carboxylic acid ethyl ester
CID 314628
2-(Diethylamino)-1,3-thiazole-5-carbaldehyde
CID 2785412
Ethyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9607486
Tert-butyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9633626
2-(Morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 15475835
2-(Pyrrolidin-1-yl)thiazole-5-carboxylic acid
CID 24229715
2-(Dimethylamino)-1,3-thiazole-5-carboxylic acid
CID 62753131
Ethyl 2-((tert-butoxy(hydroxy)methylidene)amino)-1,3-thiazole-5-carboxylate
CID 7213140
Ethyl 2-morpholinothiazole-5-carboxylate
CID 11053825
Tert-butyl 2-{[(dimethylamino)methylidene]amino}-1,3-thiazole-5-carboxylate
CID 3738801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate (CID 10880622) is ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate is CCCCN(CCCC)c1ncc(C(=O)OCC)s1.
What is the InChIKey of ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is AYCLAVQXTIGBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-7-9-16(10-8-5-2)14-15-11-12(19-14)13(17)18-6-3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate?
ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 284.43 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 10880622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).