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

C12H20N4S — CID 82515309

IUPAC2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CCN2CCCCC2C)n1
InChIInChI=1S/C12H20N4S/c1-9-4-2-3-6-16(9)7-5-11-15-10(8-17-11)12(13)14/h8-9H,2-7H2,1H3,(H3,13,14)
InChIKeyXWGUJIIOERAUHD-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.84
Rot. Bonds4

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

2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide (PubChem CID 82515309) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide
PubChem CID82515309
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CCN2CCCCC2C)n1
InChIInChI=1S/C12H20N4S/c1-9-4-2-3-6-16(9)7-5-11-15-10(8-17-11)12(13)14/h8-9H,2-7H2,1H3,(H3,13,14)
InChIKeyXWGUJIIOERAUHD-UHFFFAOYSA-N
XLogP1.84
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.84
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-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
CID 82515545
1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 82515560
2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboximidamide
CID 82515427
2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboximidamide
CID 82514950
2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191362
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
4-(2-methylpyrrolidin-1-yl)butanimidamide
CID 60974851
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboximidamide
CID 82514926
2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82424977
4-(chloromethyl)-2-[4-(2-methylpyrrolidin-1-yl)butyl]-1,3-thiazole
CID 54966700
N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide (CID 82515309) is 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(CCN2CCCCC2C)n1.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide?
The InChIKey is XWGUJIIOERAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-9-4-2-3-6-16(9)7-5-11-15-10(8-17-11)12(13)14/h8-9H,2-7H2,1H3,(H3,13,14).
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide?
2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide has a molecular weight of 252.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 82515309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).