N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide

C18H18Cl2N4O2S — CID 2539759

IUPACN-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C18H18Cl2N4O2S/c1-2-5-23(10-13-9-17(26)24-6-7-27-18(24)21-13)11-16(25)22-15-4-3-12(19)8-14(15)20/h3-4,6-9H,2,5,10-11H2,1H3,(H,22,25)
InChIKeyWYDRCJJFCSCJTJ-UHFFFAOYSA-N
MW425.34 g/mol
LogP3.91
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide

N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide (PubChem CID 2539759) has the molecular formula C18H18Cl2N4O2S and a molecular weight of 425.34 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide
PubChem CID2539759
Molecular FormulaC18H18Cl2N4O2S
Molecular Weight425.34 g/mol
Exact Mass424.05
IUPAC NameN-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C18H18Cl2N4O2S/c1-2-5-23(10-13-9-17(26)24-6-7-27-18(24)21-13)11-16(25)22-15-4-3-12(19)8-14(15)20/h3-4,6-9H,2,5,10-11H2,1H3,(H,22,25)
InChIKeyWYDRCJJFCSCJTJ-UHFFFAOYSA-N
XLogP3.91
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide (CID 2539759) is N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide?
The InChIKey is WYDRCJJFCSCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2S/c1-2-5-23(10-13-9-17(26)24-6-7-27-18(24)21-13)11-16(25)22-15-4-3-12(19)8-14(15)20/h3-4,6-9H,2,5,10-11H2,1H3,(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide?
N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide has a molecular weight of 425.34 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl-propylamino]acetamide is sourced from PubChem (CID 2539759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).