7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H9Cl2N3OS — CID 2490138

IUPAC7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2cc(Cl)ccc2Cl)nc2sccn12
InChIInChI=1S/C13H9Cl2N3OS/c14-8-1-2-10(15)11(5-8)16-7-9-6-12(19)18-3-4-20-13(18)17-9/h1-6,16H,7H2
InChIKeyNSIBEILIUCWIFV-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.67
Rot. Bonds3

About 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2490138) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2490138
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CNc2cc(Cl)ccc2Cl)nc2sccn12
InChIInChI=1S/C13H9Cl2N3OS/c14-8-1-2-10(15)11(5-8)16-7-9-6-12(19)18-3-4-20-13(18)17-9/h1-6,16H,7H2
InChIKeyNSIBEILIUCWIFV-UHFFFAOYSA-N
XLogP3.67
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2539933
N-(2-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4577121
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990185
N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135558610
N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide
CID 2539759
N-(2,5-dichlorophenyl)-2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2936587
2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2,5-dichlorophenyl)acetamide
CID 135468905
2-[(2,5-Dichloroanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 45842129
N-(3-chlorophenyl)-5-oxo-2,3-dihydro-5H-imidazo[2,1-b][1,3]thiazine-7-carboxamide
CID 929746
N-(2,5-dichlorophenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4130096
N-(3-chlorophenyl)-2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 4385477
N-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
CID 9179342

Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2490138) is 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CNc2cc(Cl)ccc2Cl)nc2sccn12.
What is the InChIKey of 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NSIBEILIUCWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-8-1-2-10(15)11(5-8)16-7-9-6-12(19)18-3-4-20-13(18)17-9/h1-6,16H,7H2.
What are the key properties of 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 326.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2490138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).