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

C13H23N3S — CID 103786303

IUPAC1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCc1cnc(CNC2CC(C)N(C)CC2C)s1
InChIInChI=1S/C13H23N3S/c1-9-8-16(4)10(2)5-12(9)14-7-13-15-6-11(3)17-13/h6,9-10,12,14H,5,7-8H2,1-4H3
InChIKeyFQKXHWBMLYAYBX-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.27
Rot. Bonds3

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

1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 103786303) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID103786303
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCc1cnc(CNC2CC(C)N(C)CC2C)s1
InChIInChI=1S/C13H23N3S/c1-9-8-16(4)10(2)5-12(9)14-7-13-15-6-11(3)17-13/h6,9-10,12,14H,5,7-8H2,1-4H3
InChIKeyFQKXHWBMLYAYBX-UHFFFAOYSA-N
XLogP2.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
1,2,5-trimethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidin-4-amine
CID 62847170
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485
N-[(5-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115886422
1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine
CID 61000035
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 115724910
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522
N-[(4-chlorophenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665551
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 103786303) is 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is Cc1cnc(CNC2CC(C)N(C)CC2C)s1.
What is the InChIKey of 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is FQKXHWBMLYAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9-8-16(4)10(2)5-12(9)14-7-13-15-6-11(3)17-13/h6,9-10,12,14H,5,7-8H2,1-4H3.
What are the key properties of 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 253.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 103786303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).