N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C15H27N3OS — CID 107510302

IUPACN-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCC(C)(C)CC2)nc1COC
InChIInChI=1S/C15H27N3OS/c1-5-16-10-13-12(11-19-4)17-14(20-13)18-8-6-15(2,3)7-9-18/h16H,5-11H2,1-4H3
InChIKeyBLGDFPUKEJSOQH-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.03
Rot. Bonds6

About N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107510302) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107510302
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCC(C)(C)CC2)nc1COC
InChIInChI=1S/C15H27N3OS/c1-5-16-10-13-12(11-19-4)17-14(20-13)18-8-6-15(2,3)7-9-18/h16H,5-11H2,1-4H3
InChIKeyBLGDFPUKEJSOQH-UHFFFAOYSA-N
XLogP3.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine 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

N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510301
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107510300
N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441943
N-[[2-(2,2-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510775
N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510370
1-[5-(ethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107510353
N-[[4-(methoxymethyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510553
N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510481
N-[[2-(3,5-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107509522
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
N-[[2-(3,3-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510218
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510387

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 107510302) is N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCC(C)(C)CC2)nc1COC.
What is the InChIKey of N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is BLGDFPUKEJSOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-16-10-13-12(11-19-4)17-14(20-13)18-8-6-15(2,3)7-9-18/h16H,5-11H2,1-4H3.
What are the key properties of N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 297.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107510302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).