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

C21H29N3O3S — CID 53397371

IUPACtert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate
SMILESCc1nc(-c2cccnc2)sc1COCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H29N3O3S/c1-15-18(28-19(23-15)17-6-5-9-22-12-17)14-26-13-16-7-10-24(11-8-16)20(25)27-21(2,3)4/h5-6,9,12,16H,7-8,10-11,13-14H2,1-4H3
InChIKeyZHVQSBGLMQOAOA-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.68
Rot. Bonds5

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

tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate (PubChem CID 53397371) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate
PubChem CID53397371
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Nametert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate
SMILESCc1nc(-c2cccnc2)sc1COCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H29N3O3S/c1-15-18(28-19(23-15)17-6-5-9-22-12-17)14-26-13-16-7-10-24(11-8-16)20(25)27-21(2,3)4/h5-6,9,12,16H,7-8,10-11,13-14H2,1-4H3
InChIKeyZHVQSBGLMQOAOA-UHFFFAOYSA-N
XLogP4.68
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-(pyridin-4-ylmethoxymethyl)pyrrolidine-1-carboxylate
CID 97171377
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
tert-butyl 4-[[3-(chloromethyl)phenyl]methoxymethyl]piperidine-1-carboxylate
CID 126758413
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580635
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 121122169
tert-butyl 4-[dideuterio(pyridin-4-ylmethoxy)methyl]piperidine-1-carboxylate
CID 170943001
tert-butyl 4-[[5-(4-bromophenyl)-1,2-oxazol-3-yl]methoxymethyl]piperidine-1-carboxylate
CID 53397367
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl (3S)-3-[(2-chloro-1,3-thiazol-5-yl)methoxymethyl]pyrrolidine-1-carboxylate
CID 97171383

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate (CID 53397371) is tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate is Cc1nc(-c2cccnc2)sc1COCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate?
The InChIKey is ZHVQSBGLMQOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-15-18(28-19(23-15)17-6-5-9-22-12-17)14-26-13-16-7-10-24(11-8-16)20(25)27-21(2,3)4/h5-6,9,12,16H,7-8,10-11,13-14H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate has a molecular weight of 403.55 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methoxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 53397371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).