ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate

C15H14N4O5S2 — CID 142435318

IUPACethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(-c2nccs2)c2nc(S(C)(=O)=O)nc(C)c2c1=O
InChIInChI=1S/C15H14N4O5S2/c1-4-24-13(21)9-7-19(15-16-5-6-25-15)12-10(11(9)20)8(2)17-14(18-12)26(3,22)23/h5-7H,4H2,1-3H3
InChIKeyMBMJCHSFUJQZOU-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.13
Rot. Bonds4

About ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 142435318) has the molecular formula C15H14N4O5S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID142435318
Molecular FormulaC15H14N4O5S2
Molecular Weight394.43 g/mol
Exact Mass394.04
IUPAC Nameethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(-c2nccs2)c2nc(S(C)(=O)=O)nc(C)c2c1=O
InChIInChI=1S/C15H14N4O5S2/c1-4-24-13(21)9-7-19(15-16-5-6-25-15)12-10(11(9)20)8(2)17-14(18-12)26(3,22)23/h5-7H,4H2,1-3H3
InChIKeyMBMJCHSFUJQZOU-UHFFFAOYSA-N
XLogP1.13
TPSA121.11 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate (CID 142435318) is ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cn(-c2nccs2)c2nc(S(C)(=O)=O)nc(C)c2c1=O.
What is the InChIKey of ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MBMJCHSFUJQZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5S2/c1-4-24-13(21)9-7-19(15-16-5-6-25-15)12-10(11(9)20)8(2)17-14(18-12)26(3,22)23/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-methylsulfonyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 142435318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).