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

C16H17N3O2S — CID 51530431

IUPAC2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@H]2CSc3nc(C)cc(=O)n32)cc1
InChIInChI=1S/C16H17N3O2S/c1-10-3-5-12(6-4-10)18-14(20)8-13-9-22-16-17-11(2)7-15(21)19(13)16/h3-7,13H,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeySQISWXSPCCQSAD-ZDUSSCGKSA-N
MW315.40 g/mol
LogP2.54
Rot. Bonds3

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

2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 51530431) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID51530431
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@H]2CSc3nc(C)cc(=O)n32)cc1
InChIInChI=1S/C16H17N3O2S/c1-10-3-5-12(6-4-10)18-14(20)8-13-9-22-16-17-11(2)7-15(21)19(13)16/h3-7,13H,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeySQISWXSPCCQSAD-ZDUSSCGKSA-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

N-(4-ethylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867941
N-[4-(dimethylamino)phenyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867958
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42478257
N-(4-acetamidophenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868762
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
CID 16868288
N-(4-bromophenyl)-2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868298
N-(4-acetylphenyl)-2-(7-tert-butyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868880
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-(4-bromophenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868488
N-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868690
N-(3,4-dimethylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868522
N-(4-butylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868480

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide (CID 51530431) is 2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@H]2CSc3nc(C)cc(=O)n32)cc1.
What is the InChIKey of 2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is SQISWXSPCCQSAD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-3-5-12(6-4-10)18-14(20)8-13-9-22-16-17-11(2)7-15(21)19(13)16/h3-7,13H,8-9H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide?
2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-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-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51530431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).