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

C14H24N4O2S — CID 103384742

IUPACethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H24N4O2S/c1-5-20-13(19)10-11(15)16-21-12(10)18(4)9-14(17(2)3)7-6-8-14/h5-9H2,1-4H3,(H2,15,16)
InChIKeyXLASXIRTFLMBKB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.82
Rot. Bonds6

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

ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate (PubChem CID 103384742) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
PubChem CID103384742
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nameethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H24N4O2S/c1-5-20-13(19)10-11(15)16-21-12(10)18(4)9-14(17(2)3)7-6-8-14/h5-9H2,1-4H3,(H2,15,16)
InChIKeyXLASXIRTFLMBKB-UHFFFAOYSA-N
XLogP1.82
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103384743
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
ethyl 3-amino-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103381836
ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103380609
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
ethyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103380476
ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379481
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
CID 103384853
ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380752
ethyl 3-amino-5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103383257
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365871
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate (CID 103384742) is ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate?
The InChIKey is XLASXIRTFLMBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-20-13(19)10-11(15)16-21-12(10)18(4)9-14(17(2)3)7-6-8-14/h5-9H2,1-4H3,(H2,15,16).
What are the key properties of ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103384742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).