methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate

C9H14N2O2S — CID 1488168

IUPACmethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C(C)(C)C
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)6-5(7(12)13-4)14-8(10)11-6/h1-4H3,(H2,10,11)
InChIKeyHOTBDFJALOEEMH-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.81
Rot. Bonds1

About methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate

methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate (PubChem CID 1488168) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
PubChem CID1488168
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Namemethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N)nc1C(C)(C)C
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)6-5(7(12)13-4)14-8(10)11-6/h1-4H3,(H2,10,11)
InChIKeyHOTBDFJALOEEMH-UHFFFAOYSA-N
XLogP1.81
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate (CID 1488168) is methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N)nc1C(C)(C)C.
What is the InChIKey of methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate?
The InChIKey is HOTBDFJALOEEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,3)6-5(7(12)13-4)14-8(10)11-6/h1-4H3,(H2,10,11).
What are the key properties of methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate?
methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1488168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).