2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide

C16H16N4O4S2 — CID 162627637

IUPAC2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCC(C(=O)Nc1cnc2sccn2c1=O)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H16N4O4S2/c1-11(20(26(2,23)24)12-6-4-3-5-7-12)14(21)18-13-10-17-16-19(15(13)22)8-9-25-16/h3-11H,1-2H3,(H,18,21)
InChIKeyJFTLYBFXYNYSCV-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.55
Rot. Bonds5

About 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide

2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (PubChem CID 162627637) has the molecular formula C16H16N4O4S2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
PubChem CID162627637
Molecular FormulaC16H16N4O4S2
Molecular Weight392.46 g/mol
Exact Mass392.06
IUPAC Name2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
SMILESCC(C(=O)Nc1cnc2sccn2c1=O)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H16N4O4S2/c1-11(20(26(2,23)24)12-6-4-3-5-7-12)14(21)18-13-10-17-16-19(15(13)22)8-9-25-16/h3-11H,1-2H3,(H,18,21)
InChIKeyJFTLYBFXYNYSCV-UHFFFAOYSA-N
XLogP1.55
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
CID 134704812
(2S)-2-(N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 126136461
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
N-(2-ethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913303
2-[[(2R)-2-(N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 124581512
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
(2S)-N-(4-bromophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 7012255
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(N-methylsulfonylanilino)propanamide
CID 2912654
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
CID 134702896

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide (CID 162627637) is 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is CC(C(=O)Nc1cnc2sccn2c1=O)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
The InChIKey is JFTLYBFXYNYSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S2/c1-11(20(26(2,23)24)12-6-4-3-5-7-12)14(21)18-13-10-17-16-19(15(13)22)8-9-25-16/h3-11H,1-2H3,(H,18,21).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide?
2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 162627637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).