N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

C17H27N5S — CID 97348201

IUPACN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCc1cc(C)n(C[C@@H](C)CNC2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C17H27N5S/c1-13(12-22-15(3)10-14(2)20-22)11-19-16-4-7-21(8-5-16)17-18-6-9-23-17/h6,9-10,13,16,19H,4-5,7-8,11-12H2,1-3H3/t13-/m0/s1
InChIKeyMYYAXYKWIIJEEW-ZDUSSCGKSA-N
MW333.50 g/mol
LogP2.85
Rot. Bonds6

About N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 97348201) has the molecular formula C17H27N5S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID97348201
Molecular FormulaC17H27N5S
Molecular Weight333.50 g/mol
Exact Mass333.20
IUPAC NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCc1cc(C)n(C[C@@H](C)CNC2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C17H27N5S/c1-13(12-22-15(3)10-14(2)20-22)11-19-16-4-7-21(8-5-16)17-18-6-9-23-17/h6,9-10,13,16,19H,4-5,7-8,11-12H2,1-3H3/t13-/m0/s1
InChIKeyMYYAXYKWIIJEEW-ZDUSSCGKSA-N
XLogP2.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (CID 97348201) is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is Cc1cc(C)n(C[C@@H](C)CNC2CCN(c3nccs3)CC2)n1.
What is the InChIKey of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is MYYAXYKWIIJEEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5S/c1-13(12-22-15(3)10-14(2)20-22)11-19-16-4-7-21(8-5-16)17-18-6-9-23-17/h6,9-10,13,16,19H,4-5,7-8,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 333.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 97348201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).