N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C17H17ClFN3O2S — CID 16868518

IUPACN-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFN3O2S/c1-2-3-10-7-16(24)22-12(9-25-17(22)21-10)8-15(23)20-11-4-5-14(19)13(18)6-11/h4-7,12H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyRLRCGNOICMYRSV-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.66
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868518) has the molecular formula C17H17ClFN3O2S and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868518
Molecular FormulaC17H17ClFN3O2S
Molecular Weight381.86 g/mol
Exact Mass381.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFN3O2S/c1-2-3-10-7-16(24)22-12(9-25-17(22)21-10)8-15(23)20-11-4-5-14(19)13(18)6-11/h4-7,12H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyRLRCGNOICMYRSV-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868518) is N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is RLRCGNOICMYRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2S/c1-2-3-10-7-16(24)22-12(9-25-17(22)21-10)8-15(23)20-11-4-5-14(19)13(18)6-11/h4-7,12H,2-3,8-9H2,1H3,(H,20,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 381.86 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).