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

C17H29N3O3S — CID 75445719

IUPACtert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate
SMILESCOCc1nc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2C)cs1
InChIInChI=1S/C17H29N3O3S/c1-12-13(2)20(16(21)23-17(3,4)5)8-7-19(12)9-14-11-24-15(18-14)10-22-6/h11-13H,7-10H2,1-6H3
InChIKeyMTJBHNRYJOXIOO-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.12
Rot. Bonds4

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

tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate (PubChem CID 75445719) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate
PubChem CID75445719
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Nametert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate
SMILESCOCc1nc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2C)cs1
InChIInChI=1S/C17H29N3O3S/c1-12-13(2)20(16(21)23-17(3,4)5)8-7-19(12)9-14-11-24-15(18-14)10-22-6/h11-13H,7-10H2,1-6H3
InChIKeyMTJBHNRYJOXIOO-UHFFFAOYSA-N
XLogP3.12
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
Tert-butyl 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
CID 56827319
Tert-butyl 4-[methyl(1,3-thiazol-4-ylmethyl)amino]piperidine-1-carboxylate
CID 71862833
ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate
CID 75372540
tert-butyl (3S)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidine-1-carboxylate
CID 75434857
tert-butyl N-((tert-butoxy)carbonyl)-N-((2-cyano-1,3-thiazol-4-yl)methyl)carbamate
CID 165890136
2-Methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 45818377
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide
CID 75442605
N-[[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropanamide
CID 96105376
tert-butyl (2R)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxylate
CID 99817080
tert-butyl (2R)-4-[2-hydroxy-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]-2-methylpiperazine-1-carboxylate
CID 178150112
2,2,2-Trifluoroethyl 4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate
CID 65173624

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate (CID 75445719) is tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate is COCc1nc(CN2CCN(C(=O)OC(C)(C)C)C(C)C2C)cs1.
What is the InChIKey of tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate?
The InChIKey is MTJBHNRYJOXIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-12-13(2)20(16(21)23-17(3,4)5)8-7-19(12)9-14-11-24-15(18-14)10-22-6/h11-13H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate?
tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate has a molecular weight of 355.50 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 75445719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).