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

C20H27N3OS — CID 31125725

IUPAC1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1nc(-c2cccc(N3CCC(NC4CCOCC4)CC3)c2)cs1
InChIInChI=1S/C20H27N3OS/c1-15-21-20(14-25-15)16-3-2-4-19(13-16)23-9-5-17(6-10-23)22-18-7-11-24-12-8-18/h2-4,13-14,17-18,22H,5-12H2,1H3
InChIKeyUTFHQZMZAHDMNN-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.86
Rot. Bonds4

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

1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 31125725) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID31125725
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1nc(-c2cccc(N3CCC(NC4CCOCC4)CC3)c2)cs1
InChIInChI=1S/C20H27N3OS/c1-15-21-20(14-25-15)16-3-2-4-19(13-16)23-9-5-17(6-10-23)22-18-7-11-24-12-8-18/h2-4,13-14,17-18,22H,5-12H2,1H3
InChIKeyUTFHQZMZAHDMNN-UHFFFAOYSA-N
XLogP3.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine (CID 31125725) is 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine is Cc1nc(-c2cccc(N3CCC(NC4CCOCC4)CC3)c2)cs1.
What is the InChIKey of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is UTFHQZMZAHDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15-21-20(14-25-15)16-3-2-4-19(13-16)23-9-5-17(6-10-23)22-18-7-11-24-12-8-18/h2-4,13-14,17-18,22H,5-12H2,1H3.
What are the key properties of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine?
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 357.52 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 31125725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).