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

C17H21N3O3S — CID 46907678

IUPAC1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)cc1OC
InChIInChI=1S/C17H21N3O3S/c1-22-13-4-3-12(9-14(13)23-2)15-10-19-17(24-15)20-7-5-11(6-8-20)16(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21)
InChIKeyHEQSJJXPBOORJP-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.53
Rot. Bonds5

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

1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 46907678) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID46907678
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)cc1OC
InChIInChI=1S/C17H21N3O3S/c1-22-13-4-3-12(9-14(13)23-2)15-10-19-17(24-15)20-7-5-11(6-8-20)16(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21)
InChIKeyHEQSJJXPBOORJP-UHFFFAOYSA-N
XLogP2.53
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 46907678) is 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)cc1OC.
What is the InChIKey of 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is HEQSJJXPBOORJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-22-13-4-3-12(9-14(13)23-2)15-10-19-17(24-15)20-7-5-11(6-8-20)16(18)21/h3-4,9-11H,5-8H2,1-2H3,(H2,18,21).
What are the key properties of 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46907678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).