N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

C25H24N4O5S — CID 108810697

IUPACN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCOc1ccc(-c2csc(-c3ccc(CNC(=O)CCn4ccc(=O)[nH]c4=O)cc3)n2)cc1OC
InChIInChI=1S/C25H24N4O5S/c1-33-20-8-7-18(13-21(20)34-2)19-15-35-24(27-19)17-5-3-16(4-6-17)14-26-22(30)9-11-29-12-10-23(31)28-25(29)32/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,26,30)(H,28,31,32)
InChIKeyZOYVWNYAENZQIB-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.05
Rot. Bonds9

About N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 108810697) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID108810697
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC NameN-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCOc1ccc(-c2csc(-c3ccc(CNC(=O)CCn4ccc(=O)[nH]c4=O)cc3)n2)cc1OC
InChIInChI=1S/C25H24N4O5S/c1-33-20-8-7-18(13-21(20)34-2)19-15-35-24(27-19)17-5-3-16(4-6-17)14-26-22(30)9-11-29-12-10-23(31)28-25(29)32/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,26,30)(H,28,31,32)
InChIKeyZOYVWNYAENZQIB-UHFFFAOYSA-N
XLogP3.05
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108801629
3-[butyl(methyl)amino]-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]propanamide
CID 108725381
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide
CID 108780108
2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108749589
1-(4-chlorophenyl)-3-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108780113
(E)-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108749601
1-acetyl-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]piperidine-4-carboxamide
CID 108725376
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108725378
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333516
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108762342

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 108810697) is N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is COc1ccc(-c2csc(-c3ccc(CNC(=O)CCn4ccc(=O)[nH]c4=O)cc3)n2)cc1OC.
What is the InChIKey of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is ZOYVWNYAENZQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-33-20-8-7-18(13-21(20)34-2)19-15-35-24(27-19)17-5-3-16(4-6-17)14-26-22(30)9-11-29-12-10-23(31)28-25(29)32/h3-8,10,12-13,15H,9,11,14H2,1-2H3,(H,26,30)(H,28,31,32).
What are the key properties of N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 492.56 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 108810697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).