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

C16H19N3O2S — CID 46907682

IUPAC1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1csc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C16H19N3O2S/c1-21-14-5-3-2-4-12(14)13-10-22-16(18-13)19-8-6-11(7-9-19)15(17)20/h2-5,10-11H,6-9H2,1H3,(H2,17,20)
InChIKeyBIIBCCPKYIQMAP-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.52
Rot. Bonds4

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

1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907682) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907682
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccccc1-c1csc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C16H19N3O2S/c1-21-14-5-3-2-4-12(14)13-10-22-16(18-13)19-8-6-11(7-9-19)15(17)20/h2-5,10-11H,6-9H2,1H3,(H2,17,20)
InChIKeyBIIBCCPKYIQMAP-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-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907682) is 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is COc1ccccc1-c1csc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is BIIBCCPKYIQMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-21-14-5-3-2-4-12(14)13-10-22-16(18-13)19-8-6-11(7-9-19)15(17)20/h2-5,10-11H,6-9H2,1H3,(H2,17,20).
What are the key properties of 1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-(2-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-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).