ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate

C9H16N2O2S — CID 145143337

IUPACethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
SMILESCC.CCOC(=O)c1nc(N)sc1C
InChIInChI=1S/C7H10N2O2S.C2H6/c1-3-11-6(10)5-4(2)12-7(8)9-5;1-2/h3H2,1-2H3,(H2,8,9);1-2H3
InChIKeyPWQQFUSEQCUZDW-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.24
Rot. Bonds2

About ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate

ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 145143337) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID145143337
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nameethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
SMILESCC.CCOC(=O)c1nc(N)sc1C
InChIInChI=1S/C7H10N2O2S.C2H6/c1-3-11-6(10)5-4(2)12-7(8)9-5;1-2/h3H2,1-2H3,(H2,8,9);1-2H3
InChIKeyPWQQFUSEQCUZDW-UHFFFAOYSA-N
XLogP2.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethyl 2-amino-5-ethynyl-1,3-thiazole-4-carboxylate
CID 86609812
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
CID 173275185
ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527160
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-(diaminomethylideneamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 23545949
ethyl 2-amino-5-(3-chloropropyl)-1,3-thiazole-4-carboxylate
CID 59418686
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate (CID 145143337) is ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate is CC.CCOC(=O)c1nc(N)sc1C.
What is the InChIKey of ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is PWQQFUSEQCUZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.C2H6/c1-3-11-6(10)5-4(2)12-7(8)9-5;1-2/h3H2,1-2H3,(H2,8,9);1-2H3.
What are the key properties of ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate?
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 216.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 145143337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).