8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

C18H11ClF2N4O3S — CID 168879723

IUPAC8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1cccc(OC(F)F)c1
InChIInChI=1S/C18H11ClF2N4O3S/c19-16-22-8-12(29-16)9-24-6-2-5-13-14(24)23-18(27)25(15(13)26)10-3-1-4-11(7-10)28-17(20)21/h1-8,17H,9H2
InChIKeyAMQLVDRUOMNFFK-UHFFFAOYSA-N
MW436.83 g/mol
LogP3.26
Rot. Bonds5

About 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 168879723) has the molecular formula C18H11ClF2N4O3S and a molecular weight of 436.83 g/mol. Its IUPAC name is 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID168879723
Molecular FormulaC18H11ClF2N4O3S
Molecular Weight436.83 g/mol
Exact Mass436.02
IUPAC Name8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1cccc(OC(F)F)c1
InChIInChI=1S/C18H11ClF2N4O3S/c19-16-22-8-12(29-16)9-24-6-2-5-13-14(24)23-18(27)25(15(13)26)10-3-1-4-11(7-10)28-17(20)21/h1-8,17H,9H2
InChIKeyAMQLVDRUOMNFFK-UHFFFAOYSA-N
XLogP3.26
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.83
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 168879723) is 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is O=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1cccc(OC(F)F)c1.
What is the InChIKey of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AMQLVDRUOMNFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4O3S/c19-16-22-8-12(29-16)9-24-6-2-5-13-14(24)23-18(27)25(15(13)26)10-3-1-4-11(7-10)28-17(20)21/h1-8,17H,9H2.
What are the key properties of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 436.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(difluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 168879723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).