2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C18H21N3O3S — CID 16869019

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)cc1
InChIInChI=1S/C18H21N3O3S/c1-11-12(2)20-18-21(17(11)23)14(10-25-18)8-16(22)19-9-13-4-6-15(24-3)7-5-13/h4-7,14H,8-10H2,1-3H3,(H,19,22)
InChIKeyJIGXSSDZMDNSIF-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.22
Rot. Bonds5

About 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 16869019) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID16869019
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)cc1
InChIInChI=1S/C18H21N3O3S/c1-11-12(2)20-18-21(17(11)23)14(10-25-18)8-16(22)19-9-13-4-6-15(24-3)7-5-13/h4-7,14H,8-10H2,1-3H3,(H,19,22)
InChIKeyJIGXSSDZMDNSIF-UHFFFAOYSA-N
XLogP2.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 16869128
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2,6-dimethylphenyl)acetamide
CID 16869093
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
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 16868261
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868558
2-(6-ethyl-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 16869221
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119795
N-[(4-chlorophenyl)methyl]-2-[6-(3,4-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 16860482
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546542
N-benzyl-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]acetamide
CID 16860025
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-(3-methoxyphenyl)ethyl]acetamide
CID 16860151
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)acetamide
CID 121123651

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 16869019) is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)cc1.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is JIGXSSDZMDNSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-12(2)20-18-21(17(11)23)14(10-25-18)8-16(22)19-9-13-4-6-15(24-3)7-5-13/h4-7,14H,8-10H2,1-3H3,(H,19,22).
What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 359.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16869019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).