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

C11H17N3O2S — CID 59679259

IUPACmethyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(CN)CC2)s1
InChIInChI=1S/C11H17N3O2S/c1-16-10(15)9-7-13-11(17-9)14-4-2-8(6-12)3-5-14/h7-8H,2-6,12H2,1H3
InChIKeyLUQJMWQSNZEFKC-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.10
Rot. Bonds3

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

methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 59679259) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID59679259
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(CN)CC2)s1
InChIInChI=1S/C11H17N3O2S/c1-16-10(15)9-7-13-11(17-9)14-4-2-8(6-12)3-5-14/h7-8H,2-6,12H2,1H3
InChIKeyLUQJMWQSNZEFKC-UHFFFAOYSA-N
XLogP1.10
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
Methyl 2-[(1-acetyl-3-methylpiperidine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 49778448
Ethyl 2-morpholinothiazole-5-carboxylate
CID 11053825
Ethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 54595879
2-(4-Methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752431
Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate hydrochloride
CID 126820113
Ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate
CID 15503788
methyl 2-[(E)-dimethylaminomethylideneamino]-1,3-thiazole-5-carboxylate
CID 59362091
Methyl 2-(piperidin-4-yl)-1,3-thiazole-5-carboxylate
CID 59679270
Fluoro 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
CID 143108154
2-[4-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 65531933
Methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylate
CID 80571046

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 59679259) is methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCC(CN)CC2)s1.
What is the InChIKey of methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is LUQJMWQSNZEFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-10(15)9-7-13-11(17-9)14-4-2-8(6-12)3-5-14/h7-8H,2-6,12H2,1H3.
What are the key properties of methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 255.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(aminomethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59679259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).