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

C18H10ClF3N4O3S — CID 168879652

IUPAC8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H10ClF3N4O3S/c19-16-23-8-12(30-16)9-25-6-2-5-13-14(25)24-17(28)26(15(13)27)10-3-1-4-11(7-10)29-18(20,21)22/h1-8H,9H2
InChIKeyRKFSCFOGSBQZAQ-UHFFFAOYSA-N
MW454.82 g/mol
LogP3.56
Rot. Bonds4

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

8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 168879652) has the molecular formula C18H10ClF3N4O3S and a molecular weight of 454.82 g/mol. Its IUPAC name is 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID168879652
Molecular FormulaC18H10ClF3N4O3S
Molecular Weight454.82 g/mol
Exact Mass454.01
IUPAC Name8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H10ClF3N4O3S/c19-16-23-8-12(30-16)9-25-6-2-5-13-14(25)24-17(28)26(15(13)27)10-3-1-4-11(7-10)29-18(20,21)22/h1-8H,9H2
InChIKeyRKFSCFOGSBQZAQ-UHFFFAOYSA-N
XLogP3.56
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.82
LogP ≤ 53.56
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-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 168879652) is 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is O=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RKFSCFOGSBQZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N4O3S/c19-16-23-8-12(30-16)9-25-6-2-5-13-14(25)24-17(28)26(15(13)27)10-3-1-4-11(7-10)29-18(20,21)22/h1-8H,9H2.
What are the key properties of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 454.82 g/mol, XLogP of 3.56, 4 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-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 168879652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).