N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

C23H29N5O5S — CID 55623445

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cs2)cc1
InChIInChI=1S/C23H29N5O5S/c1-5-33-16-8-6-15(7-9-16)21-25-17(13-34-21)22(30)27(10-11-32-4)18-19(24)28(12-14(2)3)23(31)26-20(18)29/h6-9,13-14H,5,10-12,24H2,1-4H3,(H,26,29,31)
InChIKeyAIMFQXPEENSZBI-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.59
Rot. Bonds10

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 55623445) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID55623445
Molecular FormulaC23H29N5O5S
Molecular Weight487.58 g/mol
Exact Mass487.19
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cs2)cc1
InChIInChI=1S/C23H29N5O5S/c1-5-33-16-8-6-15(7-9-16)21-25-17(13-34-21)22(30)27(10-11-32-4)18-19(24)28(12-14(2)3)23(31)26-20(18)29/h6-9,13-14H,5,10-12,24H2,1-4H3,(H,26,29,31)
InChIKeyAIMFQXPEENSZBI-UHFFFAOYSA-N
XLogP2.59
TPSA132.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 36750962
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 42974573
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-bromophenoxy)-N-(2-methoxyethyl)acetamide
CID 26211787
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
CID 55666594
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736016
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 55340674
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 8840063
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684789
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2,6-dichlorophenoxy)-N-(2-methoxyethyl)acetamide
CID 24684728
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-butan-2-ylphenoxy)-N-(2-methoxyethyl)acetamide
CID 55327830
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 27204217

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (CID 55623445) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)cs2)cc1.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AIMFQXPEENSZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-5-33-16-8-6-15(7-9-16)21-25-17(13-34-21)22(30)27(10-11-32-4)18-19(24)28(12-14(2)3)23(31)26-20(18)29/h6-9,13-14H,5,10-12,24H2,1-4H3,(H,26,29,31).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55623445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).