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

C19H23N5O5S — CID 36750962

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(C(=O)c1csc(-c2ccco2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N5O5S/c1-11(2)9-24-15(20)14(16(25)22-19(24)27)23(6-8-28-3)18(26)12-10-30-17(21-12)13-5-4-7-29-13/h4-5,7,10-11H,6,8-9,20H2,1-3H3,(H,22,25,27)
InChIKeyNOOFYUHGXWZGDR-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.78
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 36750962) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID36750962
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(C(=O)c1csc(-c2ccco2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N5O5S/c1-11(2)9-24-15(20)14(16(25)22-19(24)27)23(6-8-28-3)18(26)12-10-30-17(21-12)13-5-4-7-29-13/h4-5,7,10-11H,6,8-9,20H2,1-3H3,(H,22,25,27)
InChIKeyNOOFYUHGXWZGDR-UHFFFAOYSA-N
XLogP1.78
TPSA136.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.78
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-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 55623445
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]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 8840036
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]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 8840048
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]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 55340674
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 7995118
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388297
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)thiourea
CID 9093796
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736016
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 42974573

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 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) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-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-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is COCCN(C(=O)c1csc(-c2ccco2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NOOFYUHGXWZGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c1-11(2)9-24-15(20)14(16(25)22-19(24)27)23(6-8-28-3)18(26)12-10-30-17(21-12)13-5-4-7-29-13/h4-5,7,10-11H,6,8-9,20H2,1-3H3,(H,22,25,27).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 1.78, 8 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-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36750962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).