4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione

C19H15ClN4O2S — CID 53169259

IUPAC4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCn1c(=O)c2snc(-c3ccccn3)c2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H15ClN4O2S/c1-2-23-18(25)17-16(15(22-27-17)14-5-3-4-10-21-14)24(19(23)26)11-12-6-8-13(20)9-7-12/h3-10H,2,11H2,1H3
InChIKeyIGWZXFNLTSDLJE-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.40
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione

4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 53169259) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID53169259
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione
SMILESCCn1c(=O)c2snc(-c3ccccn3)c2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H15ClN4O2S/c1-2-23-18(25)17-16(15(22-27-17)14-5-3-4-10-21-14)24(19(23)26)11-12-6-8-13(20)9-7-12/h3-10H,2,11H2,1H3
InChIKeyIGWZXFNLTSDLJE-UHFFFAOYSA-N
XLogP3.40
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione (CID 53169259) is 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione is CCn1c(=O)c2snc(-c3ccccn3)c2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is IGWZXFNLTSDLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-2-23-18(25)17-16(15(22-27-17)14-5-3-4-10-21-14)24(19(23)26)11-12-6-8-13(20)9-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione?
4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 398.88 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53169259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).