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

C16H17N3O2S — CID 16868102

IUPAC2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1CSc2ncc(C)c(=O)n21
InChIInChI=1S/C16H17N3O2S/c1-10-5-3-4-6-13(10)18-14(20)7-12-9-22-16-17-8-11(2)15(21)19(12)16/h3-6,8,12H,7,9H2,1-2H3,(H,18,20)
InChIKeyIULHDRDDUIOEQS-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.54
Rot. Bonds3

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

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide (PubChem CID 16868102) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
PubChem CID16868102
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1CSc2ncc(C)c(=O)n21
InChIInChI=1S/C16H17N3O2S/c1-10-5-3-4-6-13(10)18-14(20)7-12-9-22-16-17-8-11(2)15(21)19(12)16/h3-6,8,12H,7,9H2,1-2H3,(H,18,20)
InChIKeyIULHDRDDUIOEQS-UHFFFAOYSA-N
XLogP2.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16868116
N-(3,5-dimethylphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868146
2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetic acid
CID 30545041
N-(3-bromophenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868114
N-(4-methoxyphenyl)-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868121
N-cyclopropyl-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 51530488
N-(3,3-diphenylpropyl)-2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478302
2-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 51511934
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-(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-[(3R)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51530460
N-[2-(1H-indol-3-yl)ethyl]-2-[(3S)-6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478334

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide (CID 16868102) is 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CC1CSc2ncc(C)c(=O)n21.
What is the InChIKey of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is IULHDRDDUIOEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-5-3-4-6-13(10)18-14(20)7-12-9-22-16-17-8-11(2)15(21)19(12)16/h3-6,8,12H,7,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide?
2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 16868102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).