1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C17H22N4OS — CID 46907664

IUPAC1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C17H22N4OS/c1-20(2)14-5-3-4-13(10-14)15-11-19-17(23-15)21-8-6-12(7-9-21)16(18)22/h3-5,10-12H,6-9H2,1-2H3,(H2,18,22)
InChIKeyQSIYOOLBRHGSSD-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.58
Rot. Bonds4

About 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907664) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907664
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1
InChIInChI=1S/C17H22N4OS/c1-20(2)14-5-3-4-13(10-14)15-11-19-17(23-15)21-8-6-12(7-9-21)16(18)22/h3-5,10-12H,6-9H2,1-2H3,(H2,18,22)
InChIKeyQSIYOOLBRHGSSD-UHFFFAOYSA-N
XLogP2.58
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907664) is 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1.
What is the InChIKey of 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is QSIYOOLBRHGSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-20(2)14-5-3-4-13(10-14)15-11-19-17(23-15)21-8-6-12(7-9-21)16(18)22/h3-5,10-12H,6-9H2,1-2H3,(H2,18,22).
What are the key properties of 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).