2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine

C14H23N3S — CID 120846309

IUPAC2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2scnc2C2CC2)C1
InChIInChI=1S/C14H23N3S/c15-6-5-11-2-1-7-17(8-11)9-13-14(12-3-4-12)16-10-18-13/h10-12H,1-9,15H2
InChIKeyBJOUYYUSPRWWFM-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.58
Rot. Bonds5

About 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine

2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 120846309) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID120846309
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2scnc2C2CC2)C1
InChIInChI=1S/C14H23N3S/c15-6-5-11-2-1-7-17(8-11)9-13-14(12-3-4-12)16-10-18-13/h10-12H,1-9,15H2
InChIKeyBJOUYYUSPRWWFM-UHFFFAOYSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 120846033
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834719
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 120846234
N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843208
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 79426860
4-cyclopropyl-5-(3,9-diazabicyclo[3.3.1]nonan-3-ylmethyl)-1,3-thiazole;hydrochloride
CID 120845757
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836180
4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120840116
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine
CID 120836978
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728721

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine (CID 120846309) is 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine is NCCC1CCCN(Cc2scnc2C2CC2)C1.
What is the InChIKey of 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is BJOUYYUSPRWWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c15-6-5-11-2-1-7-17(8-11)9-13-14(12-3-4-12)16-10-18-13/h10-12H,1-9,15H2.
What are the key properties of 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 265.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 120846309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).