N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C18H20ClN3O2S — CID 16869292

IUPACN-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)Nc1cc(Cl)ccc1C)CS2
InChIInChI=1S/C18H20ClN3O2S/c1-4-14-11(3)20-18-22(17(14)24)13(9-25-18)8-16(23)21-15-7-12(19)6-5-10(15)2/h5-7,13H,4,8-9H2,1-3H3,(H,21,23)
InChIKeyMHZGHGOASFCAFW-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.75
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16869292) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16869292
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCCc1c(C)nc2n(c1=O)C(CC(=O)Nc1cc(Cl)ccc1C)CS2
InChIInChI=1S/C18H20ClN3O2S/c1-4-14-11(3)20-18-22(17(14)24)13(9-25-18)8-16(23)21-15-7-12(19)6-5-10(15)2/h5-7,13H,4,8-9H2,1-3H3,(H,21,23)
InChIKeyMHZGHGOASFCAFW-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867987
N-(2,5-dimethylphenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868331
2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 16869311
2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 16869253
2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 16869213
ethyl 2-[[2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]acetate
CID 16869197
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 16869109
N-(2,5-dimethylphenyl)-2-(2-oxo-6-phenyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl)acetamide
CID 16859212
2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
CID 16868854
N-(5-chloro-2-methoxyphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868728
N-(2-chlorophenyl)-2-[6-(2,4-dimethylphenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]acetamide
CID 16860743
2-[6-(4-chlorophenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]-N-(2,6-dimethylphenyl)acetamide
CID 16860112

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16869292) is N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CCc1c(C)nc2n(c1=O)C(CC(=O)Nc1cc(Cl)ccc1C)CS2.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is MHZGHGOASFCAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-4-14-11(3)20-18-22(17(14)24)13(9-25-18)8-16(23)21-15-7-12(19)6-5-10(15)2/h5-7,13H,4,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 377.90 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16869292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).