3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide

C21H23N3O3S — CID 46699094

IUPAC3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1occc1COc1ccccc1
InChIInChI=1S/C21H23N3O3S/c25-20(19-16(9-12-26-19)14-27-18-7-3-1-4-8-18)23-21-22-17(15-28-21)13-24-10-5-2-6-11-24/h1,3-4,7-9,12,15H,2,5-6,10-11,13-14H2,(H,22,23,25)
InChIKeyUZALDZHTRSNLEV-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.55
Rot. Bonds7

About 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide

3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 46699094) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID46699094
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1occc1COc1ccccc1
InChIInChI=1S/C21H23N3O3S/c25-20(19-16(9-12-26-19)14-27-18-7-3-1-4-8-18)23-21-22-17(15-28-21)13-24-10-5-2-6-11-24/h1,3-4,7-9,12,15H,2,5-6,10-11,13-14H2,(H,22,23,25)
InChIKeyUZALDZHTRSNLEV-UHFFFAOYSA-N
XLogP4.55
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 29370752
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46699089
2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183028
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylfuran-2-carboxamide
CID 46539421
4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183318
5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide
CID 126781218
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17457516
2-(2-cyanophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 29329498

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 46699094) is 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is UZALDZHTRSNLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-20(19-16(9-12-26-19)14-27-18-7-3-1-4-8-18)23-21-22-17(15-28-21)13-24-10-5-2-6-11-24/h1,3-4,7-9,12,15H,2,5-6,10-11,13-14H2,(H,22,23,25).
What are the key properties of 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46699094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).