2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide

C21H18N4O3S — CID 121090748

IUPAC2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H18N4O3S/c26-19(12-25-14-23-17(11-20(25)27)18-7-4-10-28-18)22-9-8-16-13-29-21(24-16)15-5-2-1-3-6-15/h1-7,10-11,13-14H,8-9,12H2,(H,22,26)
InChIKeyQOXKYIVQGXAWOQ-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.99
Rot. Bonds7

About 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide

2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 121090748) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID121090748
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H18N4O3S/c26-19(12-25-14-23-17(11-20(25)27)18-7-4-10-28-18)22-9-8-16-13-29-21(24-16)15-5-2-1-3-6-15/h1-7,10-11,13-14H,8-9,12H2,(H,22,26)
InChIKeyQOXKYIVQGXAWOQ-UHFFFAOYSA-N
XLogP2.99
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 52904226
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121090616
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064088
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557
trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97030333
N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121090735
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076426

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 121090748) is 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(Cn1cnc(-c2ccco2)cc1=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is QOXKYIVQGXAWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c26-19(12-25-14-23-17(11-20(25)27)18-7-4-10-28-18)22-9-8-16-13-29-21(24-16)15-5-2-1-3-6-15/h1-7,10-11,13-14H,8-9,12H2,(H,22,26).
What are the key properties of 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide?
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 406.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 121090748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).