2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide

C11H18N4S — CID 82515545

IUPAC2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CN2CCCC(C)C2)n1
InChIInChI=1S/C11H18N4S/c1-8-3-2-4-15(5-8)6-10-14-9(7-16-10)11(12)13/h7-8H,2-6H2,1H3,(H3,12,13)
InChIKeyFYCULFJADCIZDF-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.66
Rot. Bonds3

About 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide

2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide (PubChem CID 82515545) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
PubChem CID82515545
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CN2CCCC(C)C2)n1
InChIInChI=1S/C11H18N4S/c1-8-3-2-4-15(5-8)6-10-14-9(7-16-10)11(12)13/h7-8H,2-6H2,1H3,(H3,12,13)
InChIKeyFYCULFJADCIZDF-UHFFFAOYSA-N
XLogP1.66
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
CID 82515427
N-methyl-1-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82193978
2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide
CID 82515309
2-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetonitrile
CID 82515543
2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide
CID 82514950
2-(2-aminoethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641597
4-(3-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 62924914
4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide
CID 82441680
2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119831183
5-(bromomethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 82424746

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide (CID 82515545) is 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(CN2CCCC(C)C2)n1.
What is the InChIKey of 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide?
The InChIKey is FYCULFJADCIZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-3-2-4-15(5-8)6-10-14-9(7-16-10)11(12)13/h7-8H,2-6H2,1H3,(H3,12,13).
What are the key properties of 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide?
2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide has a molecular weight of 238.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 82515545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).