N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine

C14H25N3S — CID 54883470

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cnc(CC)s2)CC1
InChIInChI=1S/C14H25N3S/c1-3-7-17-8-5-12(6-9-17)15-10-13-11-16-14(4-2)18-13/h11-12,15H,3-10H2,1-2H3
InChIKeyJEXUWEPFLJKSJI-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.67
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine (PubChem CID 54883470) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
PubChem CID54883470
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cnc(CC)s2)CC1
InChIInChI=1S/C14H25N3S/c1-3-7-17-8-5-12(6-9-17)15-10-13-11-16-14(4-2)18-13/h11-12,15H,3-10H2,1-2H3
InChIKeyJEXUWEPFLJKSJI-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-propylpiperidin-4-amine
CID 60695637
2-[5-[[(1-propylpiperidin-4-yl)amino]methyl]thiophen-2-yl]acetic acid
CID 82894407
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 115682188
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 54883121
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480
1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115724500
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 54883757

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine (CID 54883470) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2cnc(CC)s2)CC1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is JEXUWEPFLJKSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-7-17-8-5-12(6-9-17)15-10-13-11-16-14(4-2)18-13/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 54883470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).