4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

C13H23N3S — CID 55166232

IUPAC4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCC1(CC)CCN(Cc2csc(N)n2)CC1
InChIInChI=1S/C13H23N3S/c1-3-13(4-2)5-7-16(8-6-13)9-11-10-17-12(14)15-11/h10H,3-9H2,1-2H3,(H2,14,15)
InChIKeyKJAZFQCKAWHGNQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.13
Rot. Bonds4

About 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine

4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 55166232) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID55166232
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCC1(CC)CCN(Cc2csc(N)n2)CC1
InChIInChI=1S/C13H23N3S/c1-3-13(4-2)5-7-16(8-6-13)9-11-10-17-12(14)15-11/h10H,3-9H2,1-2H3,(H2,14,15)
InChIKeyKJAZFQCKAWHGNQ-UHFFFAOYSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63583716
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
CID 70789243
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
4-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 54986069
2-chloro-6-[(4,4-diethylpiperidin-1-yl)methyl]pyridine
CID 79240655
4-[2-(4-propylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65484061
[5-[(4,4-diethylpiperidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103060957
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 43216810
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
4-(chloromethyl)-2-[3-(4,4-diethylpiperidin-1-yl)propyl]-1,3-thiazole
CID 63159007
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 106587020
4-[1-[(1-methylpyrazol-3-yl)methyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
CID 165423145

Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine (CID 55166232) is 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is CCC1(CC)CCN(Cc2csc(N)n2)CC1.
What is the InChIKey of 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is KJAZFQCKAWHGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-13(4-2)5-7-16(8-6-13)9-11-10-17-12(14)15-11/h10H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine?
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55166232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).