ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate

C13H20N2O3S — CID 80568734

IUPACethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C13H20N2O3S/c1-3-18-12(16)11-9-19-13(14-11)15(2)8-10-4-6-17-7-5-10/h9-10H,3-8H2,1-2H3
InChIKeyFSQNHOCQYMAREN-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.18
Rot. Bonds5

About ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80568734) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80568734
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C13H20N2O3S/c1-3-18-12(16)11-9-19-13(14-11)15(2)8-10-4-6-17-7-5-10/h9-10H,3-8H2,1-2H3
InChIKeyFSQNHOCQYMAREN-UHFFFAOYSA-N
XLogP2.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate
CID 80569174
methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
CID 115424126
ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 80568326
1-[2-[cyclopentylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544442
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 64543178
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568405
ethyl 1-(oxan-4-ylmethyl)pyrazole-3-carboxylate
CID 67227127
ethyl 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-methylamino]-1,3-thiazole-4-carboxylate
CID 155592978
ethyl 2-[(6-chloro-5-methylpyridazin-3-yl)-methylamino]-1,3-thiazole-4-carboxylate
CID 155592739

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate (CID 80568734) is ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(C)CC2CCOCC2)n1.
What is the InChIKey of ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is FSQNHOCQYMAREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-18-12(16)11-9-19-13(14-11)15(2)8-10-4-6-17-7-5-10/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).