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

C18H21N3O2S — CID 16868666

IUPACN-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)cc1
InChIInChI=1S/C18H21N3O2S/c1-11(2)15-9-17(23)21-14(10-24-18(21)20-15)8-16(22)19-13-6-4-12(3)5-7-13/h4-7,9,11,14H,8,10H2,1-3H3,(H,19,22)
InChIKeyAPCFIZXBKARDEN-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.35
Rot. Bonds4

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

N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868666) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868666
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)cc1
InChIInChI=1S/C18H21N3O2S/c1-11(2)15-9-17(23)21-14(10-24-18(21)20-15)8-16(22)19-13-6-4-12(3)5-7-13/h4-7,9,11,14H,8,10H2,1-3H3,(H,19,22)
InChIKeyAPCFIZXBKARDEN-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868666) is N-(4-methylphenyl)-2-(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-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is Cc1ccc(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is APCFIZXBKARDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11(2)15-9-17(23)21-14(10-24-18(21)20-15)8-16(22)19-13-6-4-12(3)5-7-13/h4-7,9,11,14H,8,10H2,1-3H3,(H,19,22).
What are the key properties of N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).