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

C18H23N3O2S — CID 162654258

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)N3CCCCC3)cs2)cc1
InChIInChI=1S/C18H23N3O2S/c1-23-16-7-5-14(6-8-16)17-20-15(13-24-17)9-10-19-18(22)21-11-3-2-4-12-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyJODFZYXIFZSQHC-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.56
Rot. Bonds5

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

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (PubChem CID 162654258) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
PubChem CID162654258
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)N3CCCCC3)cs2)cc1
InChIInChI=1S/C18H23N3O2S/c1-23-16-7-5-14(6-8-16)17-20-15(13-24-17)9-10-19-18(22)21-11-3-2-4-12-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,22)
InChIKeyJODFZYXIFZSQHC-UHFFFAOYSA-N
XLogP3.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide (CID 162654258) is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is COc1ccc(-c2nc(CCNC(=O)N3CCCCC3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is JODFZYXIFZSQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-23-16-7-5-14(6-8-16)17-20-15(13-24-17)9-10-19-18(22)21-11-3-2-4-12-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide?
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 162654258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).