(2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate

C13H21NO2S — CID 153457069

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H21NO2S/c1-12(2,3)10-14-7-9(17-10)8-16-11(15)13(4,5)6/h7H,8H2,1-6H3
InChIKeyCISNRZNKXMMCSW-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.53
Rot. Bonds2

About (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate

(2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate (PubChem CID 153457069) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
PubChem CID153457069
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C13H21NO2S/c1-12(2,3)10-14-7-9(17-10)8-16-11(15)13(4,5)6/h7H,8H2,1-6H3
InChIKeyCISNRZNKXMMCSW-UHFFFAOYSA-N
XLogP3.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Carbamic acid, dimethyl-, (2-methyl-5-thiazolyl)methyl ester, monohydrochloride
CID 3042844
Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
Ethyl 2-(5-methyl-1,3-thiazol-2-yl)acetate
CID 62651520
5-Thiazolemethanol, 5-acetate
CID 59090893
But-3-ynyl 2-propyl-1,3-thiazole-5-carboxylate
CID 71988250
3,3,3-Trifluoropropyl 2-tert-butyl-1,3-thiazole-5-carboxylate
CID 75417414
(2-methyl-1,3-thiazol-5-yl)methyl N,N-dimethylcarbamate
CID 3042845
Ethyl 2-(fluoromethyl)-1,3-thiazole-5-carboxylate
CID 158423307
[2-(4-Fluoropiperidin-4-yl)-1,3-thiazol-5-yl]methyl 2,2-dimethylpropanoate
CID 175265106
Diethyl 2-(5-methyl-1,3-thiazol-2-yl)propanedioate
CID 134938452
Isopentyl thiazole-5-carboxylate
CID 164887838
1,3-Thiazol-5-ylmethyl 2,2,2-trifluoroacetate
CID 87921824

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate (CID 153457069) is (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1cnc(C(C)(C)C)s1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is CISNRZNKXMMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-12(2,3)10-14-7-9(17-10)8-16-11(15)13(4,5)6/h7H,8H2,1-6H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate?
(2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 255.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 153457069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).