ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate

C12H17N3O3S — CID 103383522

IUPACethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NC1CC2CCC1O2
InChIInChI=1S/C12H17N3O3S/c1-2-17-12(16)9-10(13)15-19-11(9)14-7-5-6-3-4-8(7)18-6/h6-8,14H,2-5H2,1H3,(H2,13,15)
InChIKeyXJDPHKSSLZBVPI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.63
Rot. Bonds4

About ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate (PubChem CID 103383522) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate
PubChem CID103383522
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Nameethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NC1CC2CCC1O2
InChIInChI=1S/C12H17N3O3S/c1-2-17-12(16)9-10(13)15-19-11(9)14-7-5-6-3-4-8(7)18-6/h6-8,14H,2-5H2,1H3,(H2,13,15)
InChIKeyXJDPHKSSLZBVPI-UHFFFAOYSA-N
XLogP1.63
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylsulfonyl-5-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2-thiazole-3,5-diamine
CID 103364621
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364490
ethyl 5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375572
ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate
CID 103381303
ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
CID 83180168
ethyl 4-amino-6-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate
CID 116647743
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103381310
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103383769

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate (CID 103383522) is ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NC1CC2CCC1O2.
What is the InChIKey of ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is XJDPHKSSLZBVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-17-12(16)9-10(13)15-19-11(9)14-7-5-6-3-4-8(7)18-6/h6-8,14H,2-5H2,1H3,(H2,13,15).
What are the key properties of ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103383522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).