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

C18H13ClN4O3S — CID 168879677

IUPAC8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(=O)nc2n(Cc3cnc(Cl)s3)cccc-2c1=O
InChIInChI=1S/C18H13ClN4O3S/c1-26-14-7-3-2-6-13(14)23-16(24)12-5-4-8-22(15(12)21-18(23)25)10-11-9-20-17(19)27-11/h2-9H,10H2,1H3
InChIKeyVAQKUTYFZZTZER-UHFFFAOYSA-N
MW400.85 g/mol
LogP2.67
Rot. Bonds4

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

8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 168879677) has the molecular formula C18H13ClN4O3S and a molecular weight of 400.85 g/mol. Its IUPAC name is 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID168879677
Molecular FormulaC18H13ClN4O3S
Molecular Weight400.85 g/mol
Exact Mass400.04
IUPAC Name8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-n1c(=O)nc2n(Cc3cnc(Cl)s3)cccc-2c1=O
InChIInChI=1S/C18H13ClN4O3S/c1-26-14-7-3-2-6-13(14)23-16(24)12-5-4-8-22(15(12)21-18(23)25)10-11-9-20-17(19)27-11/h2-9H,10H2,1H3
InChIKeyVAQKUTYFZZTZER-UHFFFAOYSA-N
XLogP2.67
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.85
LogP ≤ 52.67
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-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 168879677) is 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccccc1-n1c(=O)nc2n(Cc3cnc(Cl)s3)cccc-2c1=O.
What is the InChIKey of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VAQKUTYFZZTZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3S/c1-26-14-7-3-2-6-13(14)23-16(24)12-5-4-8-22(15(12)21-18(23)25)10-11-9-20-17(19)27-11/h2-9H,10H2,1H3.
What are the key properties of 8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
8-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 400.85 g/mol, XLogP of 2.67, 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-(2-methoxyphenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 168879677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).