3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

C14H13N3O4S — CID 155812457

IUPAC3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
SMILESCOc1ccc(-n2c(=O)sc3c(=O)[nH]c(C)nc32)c(OC)c1
InChIInChI=1S/C14H13N3O4S/c1-7-15-12-11(13(18)16-7)22-14(19)17(12)9-5-4-8(20-2)6-10(9)21-3/h4-6H,1-3H3,(H,15,16,18)
InChIKeyNTXAZNYXWMHUBV-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.46
Rot. Bonds3

About 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (PubChem CID 155812457) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
PubChem CID155812457
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
SMILESCOc1ccc(-n2c(=O)sc3c(=O)[nH]c(C)nc32)c(OC)c1
InChIInChI=1S/C14H13N3O4S/c1-7-15-12-11(13(18)16-7)22-14(19)17(12)9-5-4-8(20-2)6-10(9)21-3/h4-6H,1-3H3,(H,15,16,18)
InChIKeyNTXAZNYXWMHUBV-UHFFFAOYSA-N
XLogP1.46
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethoxyanilino)-6-methyl-2H-1,2,4-triazin-5-one
CID 135412294
N-(2,4-dimethoxyphenyl)-2-{[3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]thio}acetamide
CID 3239306
2-(4,6-Dihydroxy-pyrimidin-2-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 864696
2-[[6-(2,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N,N-diethylacetamide
CID 3256619
6-(2,4-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)thio]-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
CID 3554819
N-(2,4-dimethoxyphenyl)-2-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135410831
N-(2,4-dimethoxyphenyl)-2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155121
N-(2,4-dimethoxyphenyl)-2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3236470
Ethyl {[6-(2,4-dimethoxyphenyl)-7-oxo-3-phenyl-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetate
CID 3554818
{[6-(2,4-Dimethoxyphenyl)-7-oxo-3-phenyl-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetonitrile
CID 4124122
2-(2,4-Dimethoxy-phenylamino)-3-phenyl-3,5-dihydro-imidazol-4-one
CID 6602600
3-Allyl-2-(2,4-dimethoxy-phenylamino)-3,5-dihydro-imidazol-4-one
CID 6603117

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione (CID 155812457) is 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is COc1ccc(-n2c(=O)sc3c(=O)[nH]c(C)nc32)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
The InChIKey is NTXAZNYXWMHUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-7-15-12-11(13(18)16-7)22-14(19)17(12)9-5-4-8(20-2)6-10(9)21-3/h4-6H,1-3H3,(H,15,16,18).
What are the key properties of 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione?
3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione has a molecular weight of 319.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-5-methyl-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 155812457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).