3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C24H22N4O4S — CID 90547204

IUPAC3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]cc(C(=O)NCc2sc(-c3ccccc3C)nc2C)c1=O
InChIInChI=1S/C24H22N4O4S/c1-14-8-4-5-9-16(14)22-27-15(2)20(33-22)13-25-21(29)17-12-26-24(31)28(23(17)30)18-10-6-7-11-19(18)32-3/h4-12H,13H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyKDOKUVVKVZAJST-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.20
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 90547204) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID90547204
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccccc1-n1c(=O)[nH]cc(C(=O)NCc2sc(-c3ccccc3C)nc2C)c1=O
InChIInChI=1S/C24H22N4O4S/c1-14-8-4-5-9-16(14)22-27-15(2)20(33-22)13-25-21(29)17-12-26-24(31)28(23(17)30)18-10-6-7-11-19(18)32-3/h4-12H,13H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyKDOKUVVKVZAJST-UHFFFAOYSA-N
XLogP3.20
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121123707
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546989
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71795481
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
1-(3,4-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547310
N-[[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,3-dimethoxybenzamide
CID 71795515
3-(2-methoxyphenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121119362
1-(2,3-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547309
4-(4-fluorophenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1H-pyrrole-2-carboxamide
CID 90547242
3-(2-methoxyphenyl)-2,4-dioxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 121121583
2-(1H-indol-3-yl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547081

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 90547204) is 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccccc1-n1c(=O)[nH]cc(C(=O)NCc2sc(-c3ccccc3C)nc2C)c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KDOKUVVKVZAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-14-8-4-5-9-16(14)22-27-15(2)20(33-22)13-25-21(29)17-12-26-24(31)28(23(17)30)18-10-6-7-11-19(18)32-3/h4-12H,13H2,1-3H3,(H,25,29)(H,26,31).
What are the key properties of 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90547204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).