[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine

C11H19N3S — CID 115088816

IUPAC[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCN1CCCCC1Cc1nc(CN)cs1
InChIInChI=1S/C11H19N3S/c1-14-5-3-2-4-10(14)6-11-13-9(7-12)8-15-11/h8,10H,2-7,12H2,1H3
InChIKeyDDBZSBYNYMHQCU-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.63
Rot. Bonds3

About [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine

[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 115088816) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID115088816
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESCN1CCCCC1Cc1nc(CN)cs1
InChIInChI=1S/C11H19N3S/c1-14-5-3-2-4-10(14)6-11-13-9(7-12)8-15-11/h8,10H,2-7,12H2,1H3
InChIKeyDDBZSBYNYMHQCU-UHFFFAOYSA-N
XLogP1.63
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine 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

[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82515255
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115088795
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088634
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115087977
2-methyl-N-[[4-[(1-methylpiperidin-2-yl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65467117
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
[6-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 65471873
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088807
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 55120129
4-(chloromethyl)-2-[2-(2-ethylpiperidin-1-yl)ethyl]-1,3-thiazole
CID 43266689
[2-(cyclohexylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
CID 65144067

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine (CID 115088816) is [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine is CN1CCCCC1Cc1nc(CN)cs1.
What is the InChIKey of [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is DDBZSBYNYMHQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14-5-3-2-4-10(14)6-11-13-9(7-12)8-15-11/h8,10H,2-7,12H2,1H3.
What are the key properties of [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 115088816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).