2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide

C21H23N3O3S — CID 126787696

IUPAC2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC(Cc1ccccc1)CN1CCOCC1)c1cnc(-c2ccco2)s1
InChIInChI=1S/C21H23N3O3S/c25-20(19-14-22-21(28-19)18-7-4-10-27-18)23-17(13-16-5-2-1-3-6-16)15-24-8-11-26-12-9-24/h1-7,10,14,17H,8-9,11-13,15H2,(H,23,25)
InChIKeyHTCXLBWBDXUEMV-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.08
Rot. Bonds7

About 2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 126787696) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID126787696
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC(Cc1ccccc1)CN1CCOCC1)c1cnc(-c2ccco2)s1
InChIInChI=1S/C21H23N3O3S/c25-20(19-14-22-21(28-19)18-7-4-10-27-18)23-17(13-16-5-2-1-3-6-16)15-24-8-11-26-12-9-24/h1-7,10,14,17H,8-9,11-13,15H2,(H,23,25)
InChIKeyHTCXLBWBDXUEMV-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide (CID 126787696) is 2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide is O=C(NC(Cc1ccccc1)CN1CCOCC1)c1cnc(-c2ccco2)s1.
What is the InChIKey of 2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HTCXLBWBDXUEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-20(19-14-22-21(28-19)18-7-4-10-27-18)23-17(13-16-5-2-1-3-6-16)15-24-8-11-26-12-9-24/h1-7,10,14,17H,8-9,11-13,15H2,(H,23,25).
What are the key properties of 2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide?
2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.08, 7 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-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126787696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).