propan-2-yl 5-amino-1,2-thiazole-3-carboxylate

C7H10N2O2S — CID 117215200

IUPACpropan-2-yl 5-amino-1,2-thiazole-3-carboxylate
SMILESCC(C)OC(=O)c1cc(N)sn1
InChIInChI=1S/C7H10N2O2S/c1-4(2)11-7(10)5-3-6(8)12-9-5/h3-4H,8H2,1-2H3
InChIKeyRNHRVHNWEMOVNK-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.29
Rot. Bonds2

About propan-2-yl 5-amino-1,2-thiazole-3-carboxylate

propan-2-yl 5-amino-1,2-thiazole-3-carboxylate (PubChem CID 117215200) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is propan-2-yl 5-amino-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-amino-1,2-thiazole-3-carboxylate
PubChem CID117215200
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namepropan-2-yl 5-amino-1,2-thiazole-3-carboxylate
SMILESCC(C)OC(=O)c1cc(N)sn1
InChIInChI=1S/C7H10N2O2S/c1-4(2)11-7(10)5-3-6(8)12-9-5/h3-4H,8H2,1-2H3
InChIKeyRNHRVHNWEMOVNK-UHFFFAOYSA-N
XLogP1.29
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-aminoisothiazole-3-carboxylate
CID 53302115
Propyl 5-nitro-1,2-thiazole-3-carboxylate
CID 12253940
Ethyl 5-isocyanato-1,2-thiazole-3-carboxylate
CID 23062278
Methyl 5-isocyanato-1,2-thiazole-3-carboxylate
CID 23062291
5-Aminoisothiazole-3-carboxylic acid
CID 57149584
Methyl 5-nitroisothiazole-3-carboxylate
CID 59503716
Ethyl 5-aminoisothiazole-3-carboxylate
CID 117215197
Ethyl 5-nitroisothiazole-3-carboxylate
CID 118705201
tert-Butyl 5-aminoisothiazole-3-carboxylate
CID 121232200
Methyl 5-amino-1,2-thiazole-3-carboxylate hydrochloride
CID 165725630

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-amino-1,2-thiazole-3-carboxylate?
The IUPAC name of propan-2-yl 5-amino-1,2-thiazole-3-carboxylate (CID 117215200) is propan-2-yl 5-amino-1,2-thiazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-amino-1,2-thiazole-3-carboxylate?
The canonical SMILES for propan-2-yl 5-amino-1,2-thiazole-3-carboxylate is CC(C)OC(=O)c1cc(N)sn1.
What is the InChIKey of propan-2-yl 5-amino-1,2-thiazole-3-carboxylate?
The InChIKey is RNHRVHNWEMOVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4(2)11-7(10)5-3-6(8)12-9-5/h3-4H,8H2,1-2H3.
What are the key properties of propan-2-yl 5-amino-1,2-thiazole-3-carboxylate?
propan-2-yl 5-amino-1,2-thiazole-3-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-amino-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 117215200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).