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

C11H15NO2S — CID 172812186

IUPAC(5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate
SMILESCC(C)(C)c1cnc(OC(=O)C2CC2)s1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)8-6-12-10(15-8)14-9(13)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeySIFDQXNGNVKMIT-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.76
Rot. Bonds2

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

(5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate (PubChem CID 172812186) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate
PubChem CID172812186
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate
SMILESCC(C)(C)c1cnc(OC(=O)C2CC2)s1
InChIInChI=1S/C11H15NO2S/c1-11(2,3)8-6-12-10(15-8)14-9(13)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeySIFDQXNGNVKMIT-UHFFFAOYSA-N
XLogP2.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-1,3-thiazol-2-yl)-4-chloropyrrolidin-2-one
CID 168687260
(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate
CID 19765611
4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 139951763
ethyl 1-[[2-(4-tert-butylphenoxy)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate
CID 6987010
N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 167850869
(2,6-ditert-butyl-4-methylphenyl) cyclopentanecarboxylate
CID 15190815
pyridin-2-yl cyclopropanecarboxylate
CID 135376948
1,2-oxazol-5-yl cyclopropanecarboxylate
CID 142549208
tert-butyl cyclopropanecarboxylate
CID 157212632
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
(2,6-ditert-butyl-4-methylphenyl) cyclohexanecarboxylate
CID 11809687
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate?
The IUPAC name of (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate (CID 172812186) is (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate.
What is the SMILES notation for (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate?
The canonical SMILES for (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate is CC(C)(C)c1cnc(OC(=O)C2CC2)s1.
What is the InChIKey of (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate?
The InChIKey is SIFDQXNGNVKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2,3)8-6-12-10(15-8)14-9(13)7-4-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate?
(5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate has a molecular weight of 225.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-thiazol-2-yl) cyclopropanecarboxylate is sourced from PubChem (CID 172812186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).