N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H9Cl2N3O2S — CID 4130096

IUPACN-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H9Cl2N3O2S/c14-7-1-2-9(15)10(5-7)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-2,5-6H,3-4H2,(H,17,19)
InChIKeySHTVBRVPAPQNEF-UHFFFAOYSA-N
MW342.21 g/mol
LogP2.91
Rot. Bonds2

About N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4130096) has the molecular formula C13H9Cl2N3O2S and a molecular weight of 342.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4130096
Molecular FormulaC13H9Cl2N3O2S
Molecular Weight342.21 g/mol
Exact Mass340.98
IUPAC NameN-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H9Cl2N3O2S/c14-7-1-2-9(15)10(5-7)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-2,5-6H,3-4H2,(H,17,19)
InChIKeySHTVBRVPAPQNEF-UHFFFAOYSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-Chlorophenyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4105005
N-(2-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4577121
5-oxo-N-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5069368
N-(3-Chlorophenyl)-5-oxo-2-(pyrrolidin-1-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 16026054
N-(2-Chloro-phenyl)-2-(4-hydroxy-6,7-dihydro-5H-cyclopentapyrimidin-2-ylsulfanyl)-acetamide
CID 135693229
7-[(2,5-Dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2490138
N-(2,5-dichlorophenyl)-2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 2936587
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 135468905
N-(3-chloro-4-fluorophenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2739522
N-(4-fluorophenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4123390
N-(3-fluorophenyl)-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4123582
N-(2-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4123583

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4130096) is N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SHTVBRVPAPQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2S/c14-7-1-2-9(15)10(5-7)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-2,5-6H,3-4H2,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 342.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4130096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).