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

C12H20N4O3S — CID 103384165

IUPACethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCC(=O)N(CC)CC
InChIInChI=1S/C12H20N4O3S/c1-4-16(5-2)8(17)7-14-11-9(10(13)15-20-11)12(18)19-6-3/h14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyXNZCGVPZDQTQMN-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.18
Rot. Bonds7

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

ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate (PubChem CID 103384165) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
PubChem CID103384165
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Nameethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1NCC(=O)N(CC)CC
InChIInChI=1S/C12H20N4O3S/c1-4-16(5-2)8(17)7-14-11-9(10(13)15-20-11)12(18)19-6-3/h14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyXNZCGVPZDQTQMN-UHFFFAOYSA-N
XLogP1.18
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-amino-5-(ethylamino)-1,2-thiazole-4-carboxylate
CID 14171364
methyl 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103382816
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79376002
ethyl 3-amino-5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383657
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-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
CID 103379207
ethyl 3-amino-5-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxylate
CID 103384111
ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103383769
ethyl 3-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxylate
CID 103384816
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate (CID 103384165) is ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1NCC(=O)N(CC)CC.
What is the InChIKey of ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate?
The InChIKey is XNZCGVPZDQTQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-4-16(5-2)8(17)7-14-11-9(10(13)15-20-11)12(18)19-6-3/h14H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[[2-(diethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103384165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).