ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate

C11H18N2O2S — CID 116526343

IUPACethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)(C)C)sc1C
InChIInChI=1S/C11H18N2O2S/c1-6-15-9(14)8-7(2)16-10(12-8)13-11(3,4)5/h6H2,1-5H3,(H,12,13)
InChIKeyAKAWPYJGBVRMJI-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.84
Rot. Bonds3

About ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116526343) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116526343
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NC(C)(C)C)sc1C
InChIInChI=1S/C11H18N2O2S/c1-6-15-9(14)8-7(2)16-10(12-8)13-11(3,4)5/h6H2,1-5H3,(H,12,13)
InChIKeyAKAWPYJGBVRMJI-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
methyl 5-methyl-2-(3-methylpentan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 106331938
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209
ethyl 2-[(1-amino-1-oxopropan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526523
ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 105420733
ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
ethyl 2-(4-ethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 893133
ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
CID 106044664
ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate
CID 116526955
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate (CID 116526343) is ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC(C)(C)C)sc1C.
What is the InChIKey of ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is AKAWPYJGBVRMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-6-15-9(14)8-7(2)16-10(12-8)13-11(3,4)5/h6H2,1-5H3,(H,12,13).
What are the key properties of ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 242.34 g/mol, XLogP of 2.84, 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)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).