1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine

C15H19N3S — CID 103792728

IUPAC1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
SMILESc1ccc(N2CCC(NCc3cncs3)CC2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-14(5-3-1)18-8-6-13(7-9-18)17-11-15-10-16-12-19-15/h1-5,10,12-13,17H,6-9,11H2
InChIKeyHMVFWJCSOFOVQY-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.90
Rot. Bonds4

About 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine

1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine (PubChem CID 103792728) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
PubChem CID103792728
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
SMILESc1ccc(N2CCC(NCc3cncs3)CC2)cc1
InChIInChI=1S/C15H19N3S/c1-2-4-14(5-3-1)18-8-6-13(7-9-18)17-11-15-10-16-12-19-15/h1-5,10,12-13,17H,6-9,11H2
InChIKeyHMVFWJCSOFOVQY-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-amine
CID 62758722
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
2-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 62759264
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625283
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-phenylpyrrolidin-3-amine
CID 124546130
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
2-[4-(1,3-thiazol-5-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934445
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
(3aR,4R,6aR)-2-benzyl-N-(1,3-thiazol-5-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 99854119

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine (CID 103792728) is 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine is c1ccc(N2CCC(NCc3cncs3)CC2)cc1.
What is the InChIKey of 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine?
The InChIKey is HMVFWJCSOFOVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-4-14(5-3-1)18-8-6-13(7-9-18)17-11-15-10-16-12-19-15/h1-5,10,12-13,17H,6-9,11H2.
What are the key properties of 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine?
1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1,3-thiazol-5-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 103792728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).