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

C16H15ClN4O2S — CID 2539933

IUPACN-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H15ClN4O2S/c1-20(10-14(22)18-12-4-2-11(17)3-5-12)9-13-8-15(23)21-6-7-24-16(21)19-13/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyBYVHXLPPRYJCDG-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.48
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 2539933) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
PubChem CID2539933
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC NameN-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H15ClN4O2S/c1-20(10-14(22)18-12-4-2-11(17)3-5-12)9-13-8-15(23)21-6-7-24-16(21)19-13/h2-8H,9-10H2,1H3,(H,18,22)
InChIKeyBYVHXLPPRYJCDG-UHFFFAOYSA-N
XLogP2.48
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 2539933) is N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The InChIKey is BYVHXLPPRYJCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-20(10-14(22)18-12-4-2-11(17)3-5-12)9-13-8-15(23)21-6-7-24-16(21)19-13/h2-8H,9-10H2,1H3,(H,18,22).
What are the key properties of N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 362.84 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 2539933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).