6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H12ClN3OS — CID 13105930

IUPAC6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2nc(/C=C/c3cccnc3)c(Cl)c(=O)n2c1C
InChIInChI=1S/C15H12ClN3OS/c1-9-10(2)21-15-18-12(13(16)14(20)19(9)15)6-5-11-4-3-7-17-8-11/h3-8H,1-2H3/b6-5+
InChIKeyUJBJAAGCAQWYDP-AATRIKPKSA-N
MW317.80 g/mol
LogP3.59
Rot. Bonds2

About 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 13105930) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID13105930
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2nc(/C=C/c3cccnc3)c(Cl)c(=O)n2c1C
InChIInChI=1S/C15H12ClN3OS/c1-9-10(2)21-15-18-12(13(16)14(20)19(9)15)6-5-11-4-3-7-17-8-11/h3-8H,1-2H3/b6-5+
InChIKeyUJBJAAGCAQWYDP-AATRIKPKSA-N
XLogP3.59
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 13105930) is 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1sc2nc(/C=C/c3cccnc3)c(Cl)c(=O)n2c1C.
What is the InChIKey of 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UJBJAAGCAQWYDP-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-9-10(2)21-15-18-12(13(16)14(20)19(9)15)6-5-11-4-3-7-17-8-11/h3-8H,1-2H3/b6-5+.
What are the key properties of 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 317.80 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethyl-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 13105930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).