ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate

C12H21N3O2S — CID 28815592

IUPACethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCCN(CC)c1nc(N)sc1C(=O)OCC
InChIInChI=1S/C12H21N3O2S/c1-4-7-8-15(5-2)10-9(11(16)17-6-3)18-12(13)14-10/h4-8H2,1-3H3,(H2,13,14)
InChIKeyLXFBWUNZSSZFDU-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.53
Rot. Bonds7

About ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 28815592) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID28815592
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Nameethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCCN(CC)c1nc(N)sc1C(=O)OCC
InChIInChI=1S/C12H21N3O2S/c1-4-7-8-15(5-2)10-9(11(16)17-6-3)18-12(13)14-10/h4-8H2,1-3H3,(H2,13,14)
InChIKeyLXFBWUNZSSZFDU-UHFFFAOYSA-N
XLogP2.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28848730
ethyl 2-amino-4-formyl-1,3-thiazole-5-carboxylate
CID 59864685
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
methyl 2-amino-4-[bis(2-methylpropyl)amino]-1,3-thiazole-5-carboxylate
CID 28815553
ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421088
ethyl 3-amino-4-carbamoyl-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421055
methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
CID 103420554
1-[3-amino-5-[butyl(ethyl)amino]-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103420506
2-[butyl(ethyl)amino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423388
ethyl 2-amino-5-[butyl(ethyl)amino]-4-fluorobenzoate
CID 63425785
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate (CID 28815592) is ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate is CCCCN(CC)c1nc(N)sc1C(=O)OCC.
What is the InChIKey of ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LXFBWUNZSSZFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-7-8-15(5-2)10-9(11(16)17-6-3)18-12(13)14-10/h4-8H2,1-3H3,(H2,13,14).
What are the key properties of ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 271.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 28815592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).