N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

C13H23N3OS — CID 55112027

IUPACN-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCOC1CCCN(c2ncc(CNC)s2)C1
InChIInChI=1S/C13H23N3OS/c1-3-7-17-11-5-4-6-16(10-11)13-15-9-12(18-13)8-14-2/h9,11,14H,3-8,10H2,1-2H3
InChIKeyHJJMTJRGGQUFQP-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds6

About N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 55112027) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID55112027
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCCOC1CCCN(c2ncc(CNC)s2)C1
InChIInChI=1S/C13H23N3OS/c1-3-7-17-11-5-4-6-16(10-11)13-15-9-12(18-13)8-14-2/h9,11,14H,3-8,10H2,1-2H3
InChIKeyHJJMTJRGGQUFQP-UHFFFAOYSA-N
XLogP2.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62753468
1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751639
N-[[2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62754485
N-methyl-1-[6-(3-propoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 66451853
1-[2-(azepan-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751244
N-methyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63168681
2-bromo-5-(3-propoxypiperidin-1-yl)-1,3,4-thiadiazole
CID 64624316
1-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 79184250
N-methyl-1-[2-(4-propylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55112159
N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 64544374
4-chloro-2-(3-propoxypiperidin-1-yl)-1,3-thiazole
CID 83156216
1-[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 81148807

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 55112027) is N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCCOC1CCCN(c2ncc(CNC)s2)C1.
What is the InChIKey of N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HJJMTJRGGQUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-7-17-11-5-4-6-16(10-11)13-15-9-12(18-13)8-14-2/h9,11,14H,3-8,10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 55112027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).