4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide

C14H24N4OS — CID 82441680

IUPAC4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCN2CCCC(C)C2)nc1COC
InChIInChI=1S/C14H24N4OS/c1-10-4-3-6-18(8-10)7-5-12-17-11(9-19-2)13(20-12)14(15)16/h10H,3-9H2,1-2H3,(H3,15,16)
InChIKeyZBZCNFAWPLPQDJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.85
Rot. Bonds6

About 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide

4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide (PubChem CID 82441680) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide
PubChem CID82441680
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCN2CCCC(C)C2)nc1COC
InChIInChI=1S/C14H24N4OS/c1-10-4-3-6-18(8-10)7-5-12-17-11(9-19-2)13(20-12)14(15)16/h10H,3-9H2,1-2H3,(H3,15,16)
InChIKeyZBZCNFAWPLPQDJ-UHFFFAOYSA-N
XLogP1.85
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide (CID 82441680) is 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CCN2CCCC(C)C2)nc1COC.
What is the InChIKey of 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide?
The InChIKey is ZBZCNFAWPLPQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10-4-3-6-18(8-10)7-5-12-17-11(9-19-2)13(20-12)14(15)16/h10H,3-9H2,1-2H3,(H3,15,16).
What are the key properties of 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide?
4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide has a molecular weight of 296.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82441680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).