2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid

C15H10ClN3O3S — CID 54152380

IUPAC2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(C=Cc3ccncc3)c(Cl)c(=O)n12
InChIInChI=1S/C15H10ClN3O3S/c16-13-11(2-1-9-3-5-17-6-4-9)18-15-19(14(13)22)10(8-23-15)7-12(20)21/h1-6,8H,7H2,(H,20,21)
InChIKeyOIPWHEJOGZCEMY-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.60
Rot. Bonds4

About 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid

2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid (PubChem CID 54152380) has the molecular formula C15H10ClN3O3S and a molecular weight of 347.78 g/mol. Its IUPAC name is 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
PubChem CID54152380
Molecular FormulaC15H10ClN3O3S
Molecular Weight347.78 g/mol
Exact Mass347.01
IUPAC Name2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(C=Cc3ccncc3)c(Cl)c(=O)n12
InChIInChI=1S/C15H10ClN3O3S/c16-13-11(2-1-9-3-5-17-6-4-9)18-15-19(14(13)22)10(8-23-15)7-12(20)21/h1-6,8H,7H2,(H,20,21)
InChIKeyOIPWHEJOGZCEMY-UHFFFAOYSA-N
XLogP2.60
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-methyl-7-[2-(4-methylphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 54062688
2-(4,5-dimethyl-7-oxo-3,10-dithia-1,8-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,8,11-tetraen-12-yl)acetic acid
CID 962641
(E)-pent-2-enedioic acid;4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139145943
N-(4-chlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
CID 127031788
4-[(E)-3-chloroprop-1-enyl]pyridine
CID 19985704
N-(3,4-dichlorophenyl)-2-[2-oxo-3-[(Z)-2-pyridin-4-ylethenyl]quinoxalin-1-yl]acetamide
CID 127031789
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062382
2-[5-(cyclohexylamino)-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 22335543
(Z)-3-pyridin-4-ylprop-2-en-1-ol
CID 45079749
2-(3-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062357

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid (CID 54152380) is 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid is O=C(O)Cc1csc2nc(C=Cc3ccncc3)c(Cl)c(=O)n12.
What is the InChIKey of 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
The InChIKey is OIPWHEJOGZCEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3S/c16-13-11(2-1-9-3-5-17-6-4-9)18-15-19(14(13)22)10(8-23-15)7-12(20)21/h1-6,8H,7H2,(H,20,21).
What are the key properties of 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid?
2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid has a molecular weight of 347.78 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-oxo-7-(2-pyridin-4-ylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid is sourced from PubChem (CID 54152380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).