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

C13H21N3S — CID 120836978

IUPAC[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1scnc1C1CC1
InChIInChI=1S/C13H21N3S/c14-7-11-3-1-2-6-16(11)8-12-13(10-4-5-10)15-9-17-12/h9-11H,1-8,14H2
InChIKeySTVSIKKCVFEKDG-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.33
Rot. Bonds4

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

[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine (PubChem CID 120836978) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine
PubChem CID120836978
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine
SMILESNCC1CCCCN1Cc1scnc1C1CC1
InChIInChI=1S/C13H21N3S/c14-7-11-3-1-2-6-16(11)8-12-13(10-4-5-10)15-9-17-12/h9-11H,1-8,14H2
InChIKeySTVSIKKCVFEKDG-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911113
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120843077
2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
CID 120846309
methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 84593667
[1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanamine
CID 71644496
[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-2-yl]methanamine
CID 120836976
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride
CID 119916298
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
[1-[(3-methylsulfanylpyrazin-2-yl)methyl]piperidin-2-yl]methanamine
CID 71643423
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115527317

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine (CID 120836978) is [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine is NCC1CCCCN1Cc1scnc1C1CC1.
What is the InChIKey of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine?
The InChIKey is STVSIKKCVFEKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c14-7-11-3-1-2-6-16(11)8-12-13(10-4-5-10)15-9-17-12/h9-11H,1-8,14H2.
What are the key properties of [1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine?
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methanamine has a molecular weight of 251.40 g/mol, XLogP of 2.33, 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-2-yl]methanamine is sourced from PubChem (CID 120836978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).