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

C18H9Cl2F3N4O3S — CID 168879695

IUPAC8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H9Cl2F3N4O3S/c19-12-6-9(3-4-13(12)30-18(21,22)23)27-15(28)11-2-1-5-26(14(11)25-17(27)29)8-10-7-24-16(20)31-10/h1-7H,8H2
InChIKeyONBSDKKBEBHILO-UHFFFAOYSA-N
MW489.26 g/mol
LogP4.21
Rot. Bonds4

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

8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 168879695) has the molecular formula C18H9Cl2F3N4O3S and a molecular weight of 489.26 g/mol. Its IUPAC name is 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID168879695
Molecular FormulaC18H9Cl2F3N4O3S
Molecular Weight489.26 g/mol
Exact Mass487.97
IUPAC Name8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H9Cl2F3N4O3S/c19-12-6-9(3-4-13(12)30-18(21,22)23)27-15(28)11-2-1-5-26(14(11)25-17(27)29)8-10-7-24-16(20)31-10/h1-7H,8H2
InChIKeyONBSDKKBEBHILO-UHFFFAOYSA-N
XLogP4.21
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.26
LogP ≤ 54.21
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-chloro-4-(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-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 168879695) is 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(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-chloro-4-(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-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is O=c1nc2n(Cc3cnc(Cl)s3)cccc-2c(=O)n1-c1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ONBSDKKBEBHILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F3N4O3S/c19-12-6-9(3-4-13(12)30-18(21,22)23)27-15(28)11-2-1-5-26(14(11)25-17(27)29)8-10-7-24-16(20)31-10/h1-7H,8H2.
What are the key properties of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?
8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-[3-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 489.26 g/mol, XLogP of 4.21, 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-chloro-4-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 168879695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).