1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine

C14H25N3S — CID 66388837

IUPAC1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCCCC1CCN(Cc2csc(C(C)N)n2)CC1
InChIInChI=1S/C14H25N3S/c1-3-4-12-5-7-17(8-6-12)9-13-10-18-14(16-13)11(2)15/h10-12H,3-9,15H2,1-2H3
InChIKeyBHLKUODKWHFBIB-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine

1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66388837) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66388837
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCCCC1CCN(Cc2csc(C(C)N)n2)CC1
InChIInChI=1S/C14H25N3S/c1-3-4-12-5-7-17(8-6-12)9-13-10-18-14(16-13)11(2)15/h10-12H,3-9,15H2,1-2H3
InChIKeyBHLKUODKWHFBIB-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384874
1-[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 83055721
N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62439128
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine
CID 79934712
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propylazepan-1-yl)methanone
CID 66390338
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine (CID 66388837) is 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine is CCCC1CCN(Cc2csc(C(C)N)n2)CC1.
What is the InChIKey of 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is BHLKUODKWHFBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-4-12-5-7-17(8-6-12)9-13-10-18-14(16-13)11(2)15/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66388837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).