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

C19H23N3O4S — CID 23144422

IUPACN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C19H23N3O4S/c23-15(12-22-7-1-2-8-22)20-19-21-16(14-4-3-9-26-14)18(27-19)17(24)13-5-10-25-11-6-13/h3-4,9,13H,1-2,5-8,10-12H2,(H,20,21,23)
InChIKeyHEAJLCNLSICHSA-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.05
Rot. Bonds6

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

N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 23144422) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID23144422
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C19H23N3O4S/c23-15(12-22-7-1-2-8-22)20-19-21-16(14-4-3-9-26-14)18(27-19)17(24)13-5-10-25-11-6-13/h3-4,9,13H,1-2,5-8,10-12H2,(H,20,21,23)
InChIKeyHEAJLCNLSICHSA-UHFFFAOYSA-N
XLogP3.05
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 23144422) is N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is HEAJLCNLSICHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-15(12-22-7-1-2-8-22)20-19-21-16(14-4-3-9-26-14)18(27-19)17(24)13-5-10-25-11-6-13/h3-4,9,13H,1-2,5-8,10-12H2,(H,20,21,23).
What are the key properties of N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 389.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 23144422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).