N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine

C14H25N3S — CID 114132023

IUPACN-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCCCC1CCCCN1)c1nccs1
InChIInChI=1S/C14H25N3S/c1-14(2,13-16-10-11-18-13)17-9-5-7-12-6-3-4-8-15-12/h10-12,15,17H,3-9H2,1-2H3
InChIKeyJXNNYLXEZFOEAL-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.89
Rot. Bonds6

About N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine

N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 114132023) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID114132023
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCCCC1CCCCN1)c1nccs1
InChIInChI=1S/C14H25N3S/c1-14(2,13-16-10-11-18-13)17-9-5-7-12-6-3-4-8-15-12/h10-12,15,17H,3-9H2,1-2H3
InChIKeyJXNNYLXEZFOEAL-UHFFFAOYSA-N
XLogP2.89
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.89
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

N-[(4-ethylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114132011
2-methyl-N-(2-piperidin-2-ylethyl)propan-2-amine
CID 58843832
N-methyl-N-(2-piperidin-2-ylethyl)-1,3-thiazol-2-amine
CID 83839715
2-N'-(2-piperidin-2-ylethyl)propane-2,2-diamine
CID 130315688
1-(2-piperidin-2-ylethyl)-3-(1,3-thiazol-2-yl)thiourea
CID 20980166
2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892436
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
CID 120982990
2-(1,3-thiazol-2-yl)-N-(2-thiophen-3-ylethyl)propan-2-amine
CID 103714662
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine
CID 79559653
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine (CID 114132023) is N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)(NCCCC1CCCCN1)c1nccs1.
What is the InChIKey of N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is JXNNYLXEZFOEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-14(2,13-16-10-11-18-13)17-9-5-7-12-6-3-4-8-15-12/h10-12,15,17H,3-9H2,1-2H3.
What are the key properties of N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-2-ylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 114132023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).