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

C9H14N2O2S — CID 152581473

IUPACtert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate
SMILESCc1nc(C(=O)OC(C)(C)C)sc1N
InChIInChI=1S/C9H14N2O2S/c1-5-6(10)14-7(11-5)8(12)13-9(2,3)4/h10H2,1-4H3
InChIKeyYTOHHTVNMGBSIL-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.99
Rot. Bonds1

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

tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate (PubChem CID 152581473) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate
PubChem CID152581473
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nametert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate
SMILESCc1nc(C(=O)OC(C)(C)C)sc1N
InChIInChI=1S/C9H14N2O2S/c1-5-6(10)14-7(11-5)8(12)13-9(2,3)4/h10H2,1-4H3
InChIKeyYTOHHTVNMGBSIL-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate (CID 152581473) is tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate is Cc1nc(C(=O)OC(C)(C)C)sc1N.
What is the InChIKey of tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is YTOHHTVNMGBSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5-6(10)14-7(11-5)8(12)13-9(2,3)4/h10H2,1-4H3.
What are the key properties of tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate?
tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-4-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 152581473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).