N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide

C23H31N3O5S — CID 23144713

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide
SMILESCC(C)(O)C1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)CC1
InChIInChI=1S/C23H31N3O5S/c1-23(2,29)16-5-9-26(10-6-16)14-18(27)24-22-25-19(17-4-3-11-31-17)21(32-22)20(28)15-7-12-30-13-8-15/h3-4,11,15-16,29H,5-10,12-14H2,1-2H3,(H,24,25,27)
InChIKeyOGSVVFVBPGKGJK-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.43
Rot. Bonds7

About N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide (PubChem CID 23144713) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide
PubChem CID23144713
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide
SMILESCC(C)(O)C1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)CC1
InChIInChI=1S/C23H31N3O5S/c1-23(2,29)16-5-9-26(10-6-16)14-18(27)24-22-25-19(17-4-3-11-31-17)21(32-22)20(28)15-7-12-30-13-8-15/h3-4,11,15-16,29H,5-10,12-14H2,1-2H3,(H,24,25,27)
InChIKeyOGSVVFVBPGKGJK-UHFFFAOYSA-N
XLogP3.43
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide (CID 23144713) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide is CC(C)(O)C1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)CC1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide?
The InChIKey is OGSVVFVBPGKGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-23(2,29)16-5-9-26(10-6-16)14-18(27)24-22-25-19(17-4-3-11-31-17)21(32-22)20(28)15-7-12-30-13-8-15/h3-4,11,15-16,29H,5-10,12-14H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide has a molecular weight of 461.58 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 23144713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).