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

C16H16ClN3O2S — CID 16868087

IUPACN-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cnc2n(c1=O)C(CC(=O)NCc1ccc(Cl)cc1)CS2
InChIInChI=1S/C16H16ClN3O2S/c1-10-7-19-16-20(15(10)22)13(9-23-16)6-14(21)18-8-11-2-4-12(17)5-3-11/h2-5,7,13H,6,8-9H2,1H3,(H,18,21)
InChIKeyMJIIAOQYZAKMEE-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.56
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868087) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868087
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cnc2n(c1=O)C(CC(=O)NCc1ccc(Cl)cc1)CS2
InChIInChI=1S/C16H16ClN3O2S/c1-10-7-19-16-20(15(10)22)13(9-23-16)6-14(21)18-8-11-2-4-12(17)5-3-11/h2-5,7,13H,6,8-9H2,1H3,(H,18,21)
InChIKeyMJIIAOQYZAKMEE-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868087) is N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is Cc1cnc2n(c1=O)C(CC(=O)NCc1ccc(Cl)cc1)CS2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is MJIIAOQYZAKMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-10-7-19-16-20(15(10)22)13(9-23-16)6-14(21)18-8-11-2-4-12(17)5-3-11/h2-5,7,13H,6,8-9H2,1H3,(H,18,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 349.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).