N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide

C16H27N3O2S — CID 75442605

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)N2C(C)CCCC2C)cs1
InChIInChI=1S/C16H27N3O2S/c1-11-7-6-8-12(2)19(11)16(20)18(4)9-14-10-22-15(17-14)13(3)21-5/h10-13H,6-9H2,1-5H3
InChIKeyXCMVYHKHIZQZRJ-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.67
Rot. Bonds4

About N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide (PubChem CID 75442605) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide
PubChem CID75442605
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide
SMILESCOC(C)c1nc(CN(C)C(=O)N2C(C)CCCC2C)cs1
InChIInChI=1S/C16H27N3O2S/c1-11-7-6-8-12(2)19(11)16(20)18(4)9-14-10-22-15(17-14)13(3)21-5/h10-13H,6-9H2,1-5H3
InChIKeyXCMVYHKHIZQZRJ-UHFFFAOYSA-N
XLogP3.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1,3,3-trimethylurea
CID 99775487
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 109456775
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 109457053
1-cyano-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methylcyclopentane-1-carboxamide
CID 71976741
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 109454855
N-[[2-[(1S)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 96529611
2-cyclopentyl-N-[2-[[N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]acetamide
CID 109455744
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 71976740
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 109454949
trans-(1S,2S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 124777375
2-[2-[cyclopentyl(methyl)amino]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 109457083
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 109455435

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide (CID 75442605) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide is COC(C)c1nc(CN(C)C(=O)N2C(C)CCCC2C)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide?
The InChIKey is XCMVYHKHIZQZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-11-7-6-8-12(2)19(11)16(20)18(4)9-14-10-22-15(17-14)13(3)21-5/h10-13H,6-9H2,1-5H3.
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-N,2,6-trimethylpiperidine-1-carboxamide is sourced from PubChem (CID 75442605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).