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

C15H23N5OS — CID 97348214

IUPACN-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCc1noc([C@H](NC2CCN(c3nccs3)CC2)C(C)C)n1
InChIInChI=1S/C15H23N5OS/c1-10(2)13(14-17-11(3)19-21-14)18-12-4-7-20(8-5-12)15-16-6-9-22-15/h6,9-10,12-13,18H,4-5,7-8H2,1-3H3/t13-/m1/s1
InChIKeyRDTRGDHSQXNXKL-CYBMUJFWSA-N
MW321.45 g/mol
LogP2.79
Rot. Bonds5

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

N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 97348214) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID97348214
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCc1noc([C@H](NC2CCN(c3nccs3)CC2)C(C)C)n1
InChIInChI=1S/C15H23N5OS/c1-10(2)13(14-17-11(3)19-21-14)18-12-4-7-20(8-5-12)15-16-6-9-22-15/h6,9-10,12-13,18H,4-5,7-8H2,1-3H3/t13-/m1/s1
InChIKeyRDTRGDHSQXNXKL-CYBMUJFWSA-N
XLogP2.79
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 75501339
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 86786510
N-(4-propan-2-yloxycyclohexyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 84596152
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 129379229
N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 62592830
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (CID 97348214) is N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is Cc1noc([C@H](NC2CCN(c3nccs3)CC2)C(C)C)n1.
What is the InChIKey of N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is RDTRGDHSQXNXKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-10(2)13(14-17-11(3)19-21-14)18-12-4-7-20(8-5-12)15-16-6-9-22-15/h6,9-10,12-13,18H,4-5,7-8H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 321.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 97348214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).