methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate

C10H15N3O2S — CID 156820250

IUPACmethyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(c2csc(N)n2)C1
InChIInChI=1S/C10H15N3O2S/c1-15-10(14)13-4-2-3-7(5-13)8-6-16-9(11)12-8/h6-7H,2-5H2,1H3,(H2,11,12)
InChIKeyYNTBOJFAEYZISO-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.67
Rot. Bonds1

About methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate

methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate (PubChem CID 156820250) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
PubChem CID156820250
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(c2csc(N)n2)C1
InChIInChI=1S/C10H15N3O2S/c1-15-10(14)13-4-2-3-7(5-13)8-6-16-9(11)12-8/h6-7H,2-5H2,1H3,(H2,11,12)
InChIKeyYNTBOJFAEYZISO-UHFFFAOYSA-N
XLogP1.67
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110090247
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 95829128
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106586801
4-[3-amino-6-(1-methoxycarbonylpiperidin-3-yl)pyrazin-2-yl]-2-fluorobenzoic acid
CID 118045383
N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 110258692
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
tert-butyl (2R)-2-(2-acetamido-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
CID 159351798
tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170118913

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate (CID 156820250) is methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate is COC(=O)N1CCCC(c2csc(N)n2)C1.
What is the InChIKey of methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate?
The InChIKey is YNTBOJFAEYZISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-10(14)13-4-2-3-7(5-13)8-6-16-9(11)12-8/h6-7H,2-5H2,1H3,(H2,11,12).
What are the key properties of methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate?
methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 156820250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).