5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine

C15H20N4S — CID 120901186

IUPAC5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC(Nc3ccccc3)C2)s1
InChIInChI=1S/C15H20N4S/c16-15-17-9-14(20-15)11-19-8-4-7-13(10-19)18-12-5-2-1-3-6-12/h1-3,5-6,9,13,18H,4,7-8,10-11H2,(H2,16,17)
InChIKeyOYWQQIJBJVJIBG-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.80
Rot. Bonds4

About 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine

5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 120901186) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID120901186
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCCC(Nc3ccccc3)C2)s1
InChIInChI=1S/C15H20N4S/c16-15-17-9-14(20-15)11-19-8-4-7-13(10-19)18-12-5-2-1-3-6-12/h1-3,5-6,9,13,18H,4,7-8,10-11H2,(H2,16,17)
InChIKeyOYWQQIJBJVJIBG-UHFFFAOYSA-N
XLogP2.80
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901310
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
CID 120899494
5-[(3-benzylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120898543
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
(3S)-1-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]-N-phenylpiperidin-3-amine
CID 124743111
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 120899146
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629

Frequently Asked Questions

What is the IUPAC name of 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 120901186) is 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCCC(Nc3ccccc3)C2)s1.
What is the InChIKey of 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OYWQQIJBJVJIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c16-15-17-9-14(20-15)11-19-8-4-7-13(10-19)18-12-5-2-1-3-6-12/h1-3,5-6,9,13,18H,4,7-8,10-11H2,(H2,16,17).
What are the key properties of 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 288.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120901186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).