2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide

C18H25N3O3S — CID 126787581

IUPAC2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCC(O)CN1CCC(CN(C)C(=O)c2cnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H25N3O3S/c1-13(22)11-21-7-5-14(6-8-21)12-20(2)18(23)16-10-19-17(25-16)15-4-3-9-24-15/h3-4,9-10,13-14,22H,5-8,11-12H2,1-2H3
InChIKeyFDOIQARUMGNFOK-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.57
Rot. Bonds6

About 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 126787581) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID126787581
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCC(O)CN1CCC(CN(C)C(=O)c2cnc(-c3ccco3)s2)CC1
InChIInChI=1S/C18H25N3O3S/c1-13(22)11-21-7-5-14(6-8-21)12-20(2)18(23)16-10-19-17(25-16)15-4-3-9-24-15/h3-4,9-10,13-14,22H,5-8,11-12H2,1-2H3
InChIKeyFDOIQARUMGNFOK-UHFFFAOYSA-N
XLogP2.57
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 126787581) is 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide is CC(O)CN1CCC(CN(C)C(=O)c2cnc(-c3ccco3)s2)CC1.
What is the InChIKey of 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FDOIQARUMGNFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-13(22)11-21-7-5-14(6-8-21)12-20(2)18(23)16-10-19-17(25-16)15-4-3-9-24-15/h3-4,9-10,13-14,22H,5-8,11-12H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide?
2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126787581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).