1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine

C12H21N3S — CID 82044404

IUPAC1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C12H21N3S/c1-10(13)7-12-14-11(9-16-12)8-15-5-3-2-4-6-15/h9-10H,2-8,13H2,1H3
InChIKeyLYQYKLNJPSOJFY-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.02
Rot. Bonds4

About 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine

1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 82044404) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID82044404
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C12H21N3S/c1-10(13)7-12-14-11(9-16-12)8-15-5-3-2-4-6-15/h9-10H,2-8,13H2,1H3
InChIKeyLYQYKLNJPSOJFY-UHFFFAOYSA-N
XLogP2.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433618
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
CID 70789243
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679
N-[[4-(1,4-thiazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62413800
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384874

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine (CID 82044404) is 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine is CC(N)Cc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is LYQYKLNJPSOJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(13)7-12-14-11(9-16-12)8-15-5-3-2-4-6-15/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine?
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 82044404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).