methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate

C12H20N4O2S — CID 103382204

IUPACmethyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N1CCCC(N(C)C)C1
InChIInChI=1S/C12H20N4O2S/c1-15(2)8-5-4-6-16(7-8)11-9(12(17)18-3)10(13)14-19-11/h8H,4-7H2,1-3H3,(H2,13,14)
InChIKeyPUQNISJDBMCHIB-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.04
Rot. Bonds3

About methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate (PubChem CID 103382204) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
PubChem CID103382204
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Namemethyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N1CCCC(N(C)C)C1
InChIInChI=1S/C12H20N4O2S/c1-15(2)8-5-4-6-16(7-8)11-9(12(17)18-3)10(13)14-19-11/h8H,4-7H2,1-3H3,(H2,13,14)
InChIKeyPUQNISJDBMCHIB-UHFFFAOYSA-N
XLogP1.04
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382171
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103381790
methyl 4-amino-5-carbamoyl-2-[3-(dimethylamino)pyrrolidin-1-yl]thiophene-3-carboxylate
CID 103421979
methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
CID 103380879
3-amino-N-cyclopropyl-5-(3-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380603
3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103542356
3-amino-5-(3-propoxypiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380843
ethyl 3-amino-5-(2-methyl-1,4-oxazepan-4-yl)-1,2-thiazole-4-carboxylate
CID 103381673
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383282

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate (CID 103382204) is methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N1CCCC(N(C)C)C1.
What is the InChIKey of methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate?
The InChIKey is PUQNISJDBMCHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15(2)8-5-4-6-16(7-8)11-9(12(17)18-3)10(13)14-19-11/h8H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate has a molecular weight of 284.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103382204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).