ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate

C14H23N3O2S — CID 105420733

IUPACethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCC2(N(C)C)CCC2)sc1C
InChIInChI=1S/C14H23N3O2S/c1-5-19-12(18)11-10(2)20-13(16-11)15-9-14(17(3)4)7-6-8-14/h5-9H2,1-4H3,(H,15,16)
InChIKeyZNEQXQHFKHABMC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.52
Rot. Bonds6

About ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 105420733) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID105420733
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCC2(N(C)C)CCC2)sc1C
InChIInChI=1S/C14H23N3O2S/c1-5-19-12(18)11-10(2)20-13(16-11)15-9-14(17(3)4)7-6-8-14/h5-9H2,1-4H3,(H,15,16)
InChIKeyZNEQXQHFKHABMC-UHFFFAOYSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
ethyl 5-methyl-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-4-carboxylate
CID 106044664
ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
ethyl 2-[1-(diethylamino)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526669
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526911
ethyl 5-methyl-2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526634
ethyl 5-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526940
ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527165
ethyl 2-[(1-amino-1-oxopropan-2-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526523
ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate
CID 116526955
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate (CID 105420733) is ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCC2(N(C)C)CCC2)sc1C.
What is the InChIKey of ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is ZNEQXQHFKHABMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-5-19-12(18)11-10(2)20-13(16-11)15-9-14(17(3)4)7-6-8-14/h5-9H2,1-4H3,(H,15,16).
What are the key properties of ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 105420733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).