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

C21H28N4O4S — CID 23144359

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)C1
InChIInChI=1S/C21H28N4O4S/c1-24(2)15-5-8-25(12-15)13-17(26)22-21-23-18(16-4-3-9-29-16)20(30-21)19(27)14-6-10-28-11-7-14/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,22,23,26)
InChIKeyRGUCAFXJRFIOSU-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.59
Rot. Bonds7

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

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 23144359) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID23144359
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)C1
InChIInChI=1S/C21H28N4O4S/c1-24(2)15-5-8-25(12-15)13-17(26)22-21-23-18(16-4-3-9-29-16)20(30-21)19(27)14-6-10-28-11-7-14/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,22,23,26)
InChIKeyRGUCAFXJRFIOSU-UHFFFAOYSA-N
XLogP2.59
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 23144359) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide is CN(C)C1CCN(CC(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RGUCAFXJRFIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-24(2)15-5-8-25(12-15)13-17(26)22-21-23-18(16-4-3-9-29-16)20(30-21)19(27)14-6-10-28-11-7-14/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 23144359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).