ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate

C8H13N3O2S — CID 14171364

IUPACethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
SMILESCCNc1snc(N)c1C(=O)OCC
InChIInChI=1S/C8H13N3O2S/c1-3-10-7-5(6(9)11-14-7)8(12)13-4-2/h10H,3-4H2,1-2H3,(H2,9,11)
InChIKeyDNSQBNPDOACBBT-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.33
Rot. Bonds4

About ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate (PubChem CID 14171364) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
PubChem CID14171364
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Nameethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
SMILESCCNc1snc(N)c1C(=O)OCC
InChIInChI=1S/C8H13N3O2S/c1-3-10-7-5(6(9)11-14-7)8(12)13-4-2/h10H,3-4H2,1-2H3,(H2,9,11)
InChIKeyDNSQBNPDOACBBT-UHFFFAOYSA-N
XLogP1.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-amino-5-(ethylamino)-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

ethyl 3-amino-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383657
ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103384165
ethyl 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-1,2-thiazole-4-carboxylate
CID 106174655
ethyl 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1,2-thiazole-4-carboxylate
CID 106259004
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
ethyl 3-amino-5-[2-(azepan-1-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103378467
ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
CID 103379207
ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
ethyl 3-amino-5-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxylate
CID 103384111
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103383769
ethyl 3-amino-5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 107165741

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate (CID 14171364) is ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate is CCNc1snc(N)c1C(=O)OCC.
What is the InChIKey of ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is DNSQBNPDOACBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-10-7-5(6(9)11-14-7)8(12)13-4-2/h10H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 215.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 14171364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).