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

C14H12N4O3S2 — CID 11002551

IUPACethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(-c2nccs2)c2nc(SC)ncc2c1=O
InChIInChI=1S/C14H12N4O3S2/c1-3-21-12(20)9-7-18(14-15-4-5-23-14)11-8(10(9)19)6-16-13(17-11)22-2/h4-7H,3H2,1-2H3
InChIKeyVHQFNZVWWPVLAR-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.14
Rot. Bonds4

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

ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 11002551) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID11002551
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Nameethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cn(-c2nccs2)c2nc(SC)ncc2c1=O
InChIInChI=1S/C14H12N4O3S2/c1-3-21-12(20)9-7-18(14-15-4-5-23-14)11-8(10(9)19)6-16-13(17-11)22-2/h4-7H,3H2,1-2H3
InChIKeyVHQFNZVWWPVLAR-UHFFFAOYSA-N
XLogP2.14
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate (CID 11002551) is ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cn(-c2nccs2)c2nc(SC)ncc2c1=O.
What is the InChIKey of ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is VHQFNZVWWPVLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c1-3-21-12(20)9-7-18(14-15-4-5-23-14)11-8(10(9)19)6-16-13(17-11)22-2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 348.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 11002551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).