ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate

C13H23N3O4S — CID 103380533

IUPACethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CCOC)C(C)COC
InChIInChI=1S/C13H23N3O4S/c1-5-20-13(17)10-11(14)15-21-12(10)16(6-7-18-3)9(2)8-19-4/h9H,5-8H2,1-4H3,(H2,14,15)
InChIKeySMLCKWLIEOAFFD-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.39
Rot. Bonds9

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

ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate (PubChem CID 103380533) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate
PubChem CID103380533
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Nameethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(CCOC)C(C)COC
InChIInChI=1S/C13H23N3O4S/c1-5-20-13(17)10-11(14)15-21-12(10)16(6-7-18-3)9(2)8-19-4/h9H,5-8H2,1-4H3,(H2,14,15)
InChIKeySMLCKWLIEOAFFD-UHFFFAOYSA-N
XLogP1.39
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380561
ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380752
methyl 3-amino-5-[ethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103381492
methyl 3-amino-5-[pentyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380452
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
CID 103384853
5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361569
5-N-(2-methoxyethyl)-4-methylsulfanyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103364955
5-N-(2-methoxyethyl)-5-N-propan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103364962
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103380560
ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383257
ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379481

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate (CID 103380533) is ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(CCOC)C(C)COC.
What is the InChIKey of ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate?
The InChIKey is SMLCKWLIEOAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-5-20-13(17)10-11(14)15-21-12(10)16(6-7-18-3)9(2)8-19-4/h9H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate has a molecular weight of 317.41 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103380533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).