methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate

C10H15N3O3S — CID 103381026

IUPACmethyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N1CCC(O)CC1
InChIInChI=1S/C10H15N3O3S/c1-16-10(15)7-8(11)12-17-9(7)13-4-2-6(14)3-5-13/h6,14H,2-5H2,1H3,(H2,11,12)
InChIKeyDWRINMNTWNOSIT-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.47
Rot. Bonds2

About methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate

methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate (PubChem CID 103381026) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
PubChem CID103381026
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Namemethyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N1CCC(O)CC1
InChIInChI=1S/C10H15N3O3S/c1-16-10(15)7-8(11)12-17-9(7)13-4-2-6(14)3-5-13/h6,14H,2-5H2,1H3,(H2,11,12)
InChIKeyDWRINMNTWNOSIT-UHFFFAOYSA-N
XLogP0.47
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
CID 103380879
methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382204
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382171
ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384722
3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103542356
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010
3-amino-5-(4-tert-butylpiperidin-1-yl)-N-methyl-1,2-thiazole-4-carboxamide
CID 103379615
3-amino-N-cyclopropyl-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380799
ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate
CID 103381006

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate (CID 103381026) is methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N1CCC(O)CC1.
What is the InChIKey of methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The InChIKey is DWRINMNTWNOSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-16-10(15)7-8(11)12-17-9(7)13-4-2-6(14)3-5-13/h6,14H,2-5H2,1H3,(H2,11,12).
What are the key properties of methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate has a molecular weight of 257.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103381026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).