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

C18H20FN3O2S — CID 42065639

IUPACN-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)cc1F
InChIInChI=1S/C18H20FN3O2S/c1-10(2)15-8-17(24)22-13(9-25-18(22)21-15)7-16(23)20-12-5-4-11(3)14(19)6-12/h4-6,8,10,13H,7,9H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyKXZGUUOQQAQWSC-CYBMUJFWSA-N
MW361.44 g/mol
LogP3.49
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 42065639) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
PubChem CID42065639
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)cc1F
InChIInChI=1S/C18H20FN3O2S/c1-10(2)15-8-17(24)22-13(9-25-18(22)21-15)7-16(23)20-12-5-4-11(3)14(19)6-12/h4-6,8,10,13H,7,9H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyKXZGUUOQQAQWSC-CYBMUJFWSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
methyl 4-[[2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]benzoate
CID 16868693
N-(1,2-oxazol-3-yl)-2-[(3S)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 51530524
N-[(2,6-difluorophenyl)methyl]-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
CID 42065655
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-(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-(3,4-dimethylphenyl)-2-(5-oxo-7-propyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868522
N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868636
N-(4-ethylphenyl)-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867941
N-(3-ethoxypropyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868626
N-[4-(dimethylamino)phenyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16867958

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 42065639) is N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is Cc1ccc(NC(=O)C[C@@H]2CSc3nc(C(C)C)cc(=O)n32)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The InChIKey is KXZGUUOQQAQWSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-10(2)15-8-17(24)22-13(9-25-18(22)21-15)7-16(23)20-12-5-4-11(3)14(19)6-12/h4-6,8,10,13H,7,9H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[(3R)-5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 42065639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).