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

C20H21N3O4S — CID 87171113

IUPAC2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1C=CC=NC1)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C20H21N3O4S/c24-16(11-13-3-1-7-21-12-13)22-20-23-17(15-4-2-8-27-15)19(28-20)18(25)14-5-9-26-10-6-14/h1-4,7-8,13-14H,5-6,9-12H2,(H,22,23,24)
InChIKeyYPQYHFLQQGZPQJ-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.60
Rot. Bonds6

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

2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 87171113) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID87171113
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1C=CC=NC1)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1
InChIInChI=1S/C20H21N3O4S/c24-16(11-13-3-1-7-21-12-13)22-20-23-17(15-4-2-8-27-15)19(28-20)18(25)14-5-9-26-10-6-14/h1-4,7-8,13-14H,5-6,9-12H2,(H,22,23,24)
InChIKeyYPQYHFLQQGZPQJ-UHFFFAOYSA-N
XLogP3.60
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 87171113) is 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide is O=C(CC1C=CC=NC1)Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1.
What is the InChIKey of 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YPQYHFLQQGZPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-16(11-13-3-1-7-21-12-13)22-20-23-17(15-4-2-8-27-15)19(28-20)18(25)14-5-9-26-10-6-14/h1-4,7-8,13-14H,5-6,9-12H2,(H,22,23,24).
What are the key properties of 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide?
2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 399.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-3-yl)-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87171113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).