[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride

C13H22ClN3S — CID 120834719

IUPAC[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2scnc2C2CC2)CC1
InChIInChI=1S/C13H21N3S.ClH/c14-7-10-3-5-16(6-4-10)8-12-13(11-1-2-11)15-9-17-12;/h9-11H,1-8,14H2;1H
InChIKeyNWRZKDSYHCEYDD-UHFFFAOYSA-N
MW287.86 g/mol
LogP2.61
Rot. Bonds4

About [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride

[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 120834719) has the molecular formula C13H22ClN3S and a molecular weight of 287.86 g/mol. Its IUPAC name is [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID120834719
Molecular FormulaC13H22ClN3S
Molecular Weight287.86 g/mol
Exact Mass287.12
IUPAC Name[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2scnc2C2CC2)CC1
InChIInChI=1S/C13H21N3S.ClH/c14-7-10-3-5-16(6-4-10)8-12-13(11-1-2-11)15-9-17-12;/h9-11H,1-8,14H2;1H
InChIKeyNWRZKDSYHCEYDD-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 52.61
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
2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
CID 120846309
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120843077
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine
CID 120836978
4-cyclopropyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120847310
4-cyclopropyl-5-(3,9-diazabicyclo[3.3.1]nonan-3-ylmethyl)-1,3-thiazole;hydrochloride
CID 120845757
4-cyclopropyl-5-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120840116
(3S,4R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120846852
[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 130694081
2-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 166287839
3-amino-N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911113
N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843208

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride (CID 120834719) is [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(Cc2scnc2C2CC2)CC1.
What is the InChIKey of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is NWRZKDSYHCEYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S.ClH/c14-7-10-3-5-16(6-4-10)8-12-13(11-1-2-11)15-9-17-12;/h9-11H,1-8,14H2;1H.
What are the key properties of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 287.86 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120834719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).