3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

C25H24N4O5S — CID 1426133

IUPAC3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCCCc1cc(=O)n2c(C(=O)Nc3cc(OC)ccc3OC)c(C(=O)Nc3ccccc3)sc2n1
InChIInChI=1S/C25H24N4O5S/c1-4-8-16-13-20(30)29-21(23(31)28-18-14-17(33-2)11-12-19(18)34-3)22(35-25(29)27-16)24(32)26-15-9-6-5-7-10-15/h5-7,9-14H,4,8H2,1-3H3,(H,26,32)(H,28,31)
InChIKeyBTULMHUJJYRRBK-UHFFFAOYSA-N
MW492.56 g/mol
LogP4.23
Rot. Bonds8

About 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (PubChem CID 1426133) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
PubChem CID1426133
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
SMILESCCCc1cc(=O)n2c(C(=O)Nc3cc(OC)ccc3OC)c(C(=O)Nc3ccccc3)sc2n1
InChIInChI=1S/C25H24N4O5S/c1-4-8-16-13-20(30)29-21(23(31)28-18-14-17(33-2)11-12-19(18)34-3)22(35-25(29)27-16)24(32)26-15-9-6-5-7-10-15/h5-7,9-14H,4,8H2,1-3H3,(H,26,32)(H,28,31)
InChIKeyBTULMHUJJYRRBK-UHFFFAOYSA-N
XLogP4.23
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

propyl 4-[[5-oxo-2-(phenylcarbamoyl)-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-3-carbonyl]amino]benzoate
CID 2240079
2-N-(2,3-dimethylphenyl)-3-N-(3-methylphenyl)-5-oxo-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426101
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222
N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46460468
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247653
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
methyl 2-benzamido-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17064928
methyl 2-(butanoylamino)-5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17063919
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
ethyl 5-[(2,5-dimethoxyphenyl)carbamoyl]-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17063292
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The IUPAC name of 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide (CID 1426133) is 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is CCCc1cc(=O)n2c(C(=O)Nc3cc(OC)ccc3OC)c(C(=O)Nc3ccccc3)sc2n1.
What is the InChIKey of 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
The InChIKey is BTULMHUJJYRRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-4-8-16-13-20(30)29-21(23(31)28-18-14-17(33-2)11-12-19(18)34-3)22(35-25(29)27-16)24(32)26-15-9-6-5-7-10-15/h5-7,9-14H,4,8H2,1-3H3,(H,26,32)(H,28,31).
What are the key properties of 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide?
3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide has a molecular weight of 492.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,5-dimethoxyphenyl)-5-oxo-2-N-phenyl-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide is sourced from PubChem (CID 1426133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).