5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine

C13H23N3OS — CID 102966743

IUPAC5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCCC(OC)C2)s1
InChIInChI=1S/C13H23N3OS/c1-3-6-14-13-15-8-12(18-13)10-16-7-4-5-11(9-16)17-2/h8,11H,3-7,9-10H2,1-2H3,(H,14,15)
InChIKeyMJNRXBPWDBBSGF-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.58
Rot. Bonds6

About 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine

5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 102966743) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID102966743
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCCC(OC)C2)s1
InChIInChI=1S/C13H23N3OS/c1-3-6-14-13-15-8-12(18-13)10-16-7-4-5-11(9-16)17-2/h8,11H,3-7,9-10H2,1-2H3,(H,14,15)
InChIKeyMJNRXBPWDBBSGF-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774542
5-[(4-propan-2-ylazepan-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79772633
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774545
5-(1,4-oxazepan-4-ylmethyl)-N-propyl-1,3-thiazol-2-amine
CID 79771866
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771395
1-[1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanol
CID 106837645
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 99936999
5-[(2,6-dimethylpiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771437
5-(cycloheptyloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774505
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine
CID 79761275
4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]-1,4-diazepan-2-one
CID 79774066
2-[(3-methoxypiperidin-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 102966751

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine (CID 102966743) is 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN2CCCC(OC)C2)s1.
What is the InChIKey of 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is MJNRXBPWDBBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-6-14-13-15-8-12(18-13)10-16-7-4-5-11(9-16)17-2/h8,11H,3-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxypiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 102966743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).