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

C17H22N4OS — CID 46907722

IUPAC1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-20(2)14-5-3-12(4-6-14)15-11-23-17(19-15)21-9-7-13(8-10-21)16(18)22/h3-6,11,13H,7-10H2,1-2H3,(H2,18,22)
InChIKeyVYPHKWIOBDUDQX-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.58
Rot. Bonds4

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

1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907722) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907722
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C17H22N4OS/c1-20(2)14-5-3-12(4-6-14)15-11-23-17(19-15)21-9-7-13(8-10-21)16(18)22/h3-6,11,13H,7-10H2,1-2H3,(H2,18,22)
InChIKeyVYPHKWIOBDUDQX-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-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907722) is 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is CN(C)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1.
What is the InChIKey of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is VYPHKWIOBDUDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-20(2)14-5-3-12(4-6-14)15-11-23-17(19-15)21-9-7-13(8-10-21)16(18)22/h3-6,11,13H,7-10H2,1-2H3,(H2,18,22).
What are the key properties of 1-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-[4-(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-[4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).