2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine

C11H19N3S — CID 63825914

IUPAC2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESc1nc(CNCCC2CCNCC2)cs1
InChIInChI=1S/C11H19N3S/c1-4-12-5-2-10(1)3-6-13-7-11-8-15-9-14-11/h8-10,12-13H,1-7H2
InChIKeyIESOYEWHBQFCLQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.62
Rot. Bonds5

About 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine

2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 63825914) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID63825914
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESc1nc(CNCCC2CCNCC2)cs1
InChIInChI=1S/C11H19N3S/c1-4-12-5-2-10(1)3-6-13-7-11-8-15-9-14-11/h8-10,12-13H,1-7H2
InChIKeyIESOYEWHBQFCLQ-UHFFFAOYSA-N
XLogP1.62
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
2-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63902488
3-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63824137
1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106741088
N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
CID 103982153
6-[(2-cyclopropylethylamino)methyl]pyridin-3-ol
CID 79794912
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
3-cyclohexyloxy-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696926
2-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 80549972
3-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 55251350
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 115757840
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 63825914) is 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine is c1nc(CNCCC2CCNCC2)cs1.
What is the InChIKey of 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is IESOYEWHBQFCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-12-5-2-10(1)3-6-13-7-11-8-15-9-14-11/h8-10,12-13H,1-7H2.
What are the key properties of 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 63825914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).