N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C21H19N5O5S — CID 39299259

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2)cc1OC
InChIInChI=1S/C21H19N5O5S/c1-25-17-12(19(28)26(2)21(25)29)6-7-13(22-17)18(27)24-20-23-14(10-32-20)11-5-8-15(30-3)16(9-11)31-4/h5-10H,1-4H3,(H,23,24,27)
InChIKeyIORBXFWPONYMRD-UHFFFAOYSA-N
MW453.48 g/mol
LogP2.03
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 39299259) has the molecular formula C21H19N5O5S and a molecular weight of 453.48 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID39299259
Molecular FormulaC21H19N5O5S
Molecular Weight453.48 g/mol
Exact Mass453.11
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2)cc1OC
InChIInChI=1S/C21H19N5O5S/c1-25-17-12(19(28)26(2)21(25)29)6-7-13(22-17)18(27)24-20-23-14(10-32-20)11-5-8-15(30-3)16(9-11)31-4/h5-10H,1-4H3,(H,23,24,27)
InChIKeyIORBXFWPONYMRD-UHFFFAOYSA-N
XLogP2.03
TPSA117.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 39299259) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is IORBXFWPONYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5S/c1-25-17-12(19(28)26(2)21(25)29)6-7-13(22-17)18(27)24-20-23-14(10-32-20)11-5-8-15(30-3)16(9-11)31-4/h5-10H,1-4H3,(H,23,24,27).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 453.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 39299259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).