ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate

C10H16N2O2S — CID 15503788

IUPACethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)(C)C)s1
InChIInChI=1S/C10H16N2O2S/c1-5-14-8(13)7-6-11-9(15-7)12-10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
InChIKeyFOXDWVDIFKXRMN-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.53
Rot. Bonds3

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

ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate (PubChem CID 15503788) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate
PubChem CID15503788
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)(C)C)s1
InChIInChI=1S/C10H16N2O2S/c1-5-14-8(13)7-6-11-9(15-7)12-10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
InChIKeyFOXDWVDIFKXRMN-UHFFFAOYSA-N
XLogP2.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-aminothiazole-5-carboxylate
CID 238005
2-Amino-thiazole-5-carboxylic acid ethyl ester
CID 314628
Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
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-(2-Methylpropanamido)-1,3-thiazole-5-carboxylic acid
CID 138472962
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
Ethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 54595879
Lithium 2-((2-methoxyethyl)amino)-1,3-thiazole-5-carboxylate
CID 138040570
Methyl 2-[(trifluoroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 156025295

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate (CID 15503788) is ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NC(C)(C)C)s1.
What is the InChIKey of ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is FOXDWVDIFKXRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5-14-8(13)7-6-11-9(15-7)12-10(2,3)4/h6H,5H2,1-4H3,(H,11,12).
What are the key properties of ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate?
ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 15503788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).