tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate

C15H24N2O3S — CID 7164575

IUPACtert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1CO
InChIInChI=1S/C15H24N2O3S/c1-10-12(9-18)21-13(16-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h11,18H,5-9H2,1-4H3
InChIKeyYNLQKGMVENCCLE-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 7164575) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID7164575
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Nametert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESCc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1CO
InChIInChI=1S/C15H24N2O3S/c1-10-12(9-18)21-13(16-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h11,18H,5-9H2,1-4H3
InChIKeyYNLQKGMVENCCLE-UHFFFAOYSA-N
XLogP3.06
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2795533
2-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811970
2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)methyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138054100
4-[4-(1-Hydroxy-ethyl)-5-methyl-thiazol-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 57986798
4-(4-Hydroxymethyl-5-methyl-thiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 66911064
Tert-butyl 4-[4-(2-hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 68809887
2-[Amino-(5-hydroxymethyl-4-methyl-thiazol-2-yl)-methyl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71294904
4-(4-Hydroxymethyl-5-methyl-thiazol-2-yl)-piperidine-1-carboxylic acid
CID 86709207
[4-Methyl-5-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl] piperidine-1-carboxylate
CID 90833081
4-[4-(1-Hydroxyethyl)-5-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 123862313
tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-5-methyl-1,3-thiazol-2-yl]-4-methylpentan-3-yl]-N-methylcarbamate
CID 142601614
Tert-butyl formate;(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)methanol
CID 174585504

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 7164575) is tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate is Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1CO.
What is the InChIKey of tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is YNLQKGMVENCCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-12(9-18)21-13(16-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h11,18H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 7164575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).