N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C10H11N3O4S2 — CID 64544855

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)Cc2cc(C)on2)n1
InChIInChI=1S/C10H11N3O4S2/c1-6-3-8(12-17-6)5-19(15,16)13-10-11-9(4-18-10)7(2)14/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyJXAIXEZHAHBTBS-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.58
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 64544855) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID64544855
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)Cc2cc(C)on2)n1
InChIInChI=1S/C10H11N3O4S2/c1-6-3-8(12-17-6)5-19(15,16)13-10-11-9(4-18-10)7(2)14/h3-4H,5H2,1-2H3,(H,11,13)
InChIKeyJXAIXEZHAHBTBS-UHFFFAOYSA-N
XLogP1.58
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542
N-(5-bromo-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 60785293
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-(6-hydroxyhexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103918339
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
1-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]ethanone
CID 2745414
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]propanoic acid
CID 28788047
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114808715
1-(5-methyl-1,2-oxazol-3-yl)-N-(1H-pyrazol-5-yl)methanesulfonamide
CID 61394269

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 64544855) is N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is CC(=O)c1csc(NS(=O)(=O)Cc2cc(C)on2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is JXAIXEZHAHBTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-6-3-8(12-17-6)5-19(15,16)13-10-11-9(4-18-10)7(2)14/h3-4H,5H2,1-2H3,(H,11,13).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 301.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 64544855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).