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

C16H19N3O2S — CID 46907716

IUPAC1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C16H19N3O2S/c1-21-13-4-2-3-12(9-13)14-10-22-16(18-14)19-7-5-11(6-8-19)15(17)20/h2-4,9-11H,5-8H2,1H3,(H2,17,20)
InChIKeyAZTDMSFEQMRBLB-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.52
Rot. Bonds4

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

1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907716) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907716
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C16H19N3O2S/c1-21-13-4-2-3-12(9-13)14-10-22-16(18-14)19-7-5-11(6-8-19)15(17)20/h2-4,9-11H,5-8H2,1H3,(H2,17,20)
InChIKeyAZTDMSFEQMRBLB-UHFFFAOYSA-N
XLogP2.52
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907716) is 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is COc1cccc(-c2csc(N3CCC(C(N)=O)CC3)n2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is AZTDMSFEQMRBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-13-4-2-3-12(9-13)14-10-22-16(18-14)19-7-5-11(6-8-19)15(17)20/h2-4,9-11H,5-8H2,1H3,(H2,17,20).
What are the key properties of 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).