ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate

C10H15NO2S — CID 21075145

IUPACethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H15NO2S/c1-5-13-9(12)8-11-7(6-14-8)10(2,3)4/h6H,5H2,1-4H3
InChIKeyDCHMVIBNJJRJQS-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.62
Rot. Bonds2

About ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate

ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate (PubChem CID 21075145) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
PubChem CID21075145
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 4-tert-butyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H15NO2S/c1-5-13-9(12)8-11-7(6-14-8)10(2,3)4/h6H,5H2,1-4H3
InChIKeyDCHMVIBNJJRJQS-UHFFFAOYSA-N
XLogP2.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-methyl-1,3-thiazole-2-carboxylate
CID 567306
Methyl 4-methylthiazole-2-carboxylate
CID 11435075
2-Thiazolecarboxylic acid, 4-(1-methylethyl)-
CID 22499307
4-Ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
Sodium 4-(propan-2-yl)-1,3-thiazole-2-carboxylate
CID 47002354
Methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
CID 47002683
Sodium 4-ethylthiazole-2-carboxylate
CID 129011170
Lithium(1+) 4-tert-butyl-1,3-thiazole-2-carboxylate
CID 145912954
4-(1-Methylethyl)-1,3-thiazole-2-carboxylic acid lithium salt
CID 57578768
(4-Methyl-1,3-thiazol-2-yl)methyl acetate
CID 60014994
Methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl-(cyanomethyl)amino]acetate
CID 71855792
ethyl 2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]-2-methylpropanoate
CID 99604548

Frequently Asked Questions

What is the IUPAC name of ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate (CID 21075145) is ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(C)(C)C)cs1.
What is the InChIKey of ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate?
The InChIKey is DCHMVIBNJJRJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-5-13-9(12)8-11-7(6-14-8)10(2,3)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate?
ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-tert-butyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 21075145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).