1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone

C9H15N3O3S2 — CID 114815388

IUPAC1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(NS(=O)(=O)NCC(C)C)n1
InChIInChI=1S/C9H15N3O3S2/c1-6(2)4-10-17(14,15)12-9-11-8(5-16-9)7(3)13/h5-6,10H,4H2,1-3H3,(H,11,12)
InChIKeySWGVUGJIJGDCDJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.25
Rot. Bonds6

About 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone

1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone (PubChem CID 114815388) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
PubChem CID114815388
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(NS(=O)(=O)NCC(C)C)n1
InChIInChI=1S/C9H15N3O3S2/c1-6(2)4-10-17(14,15)12-9-11-8(5-16-9)7(3)13/h5-6,10H,4H2,1-3H3,(H,11,12)
InChIKeySWGVUGJIJGDCDJ-UHFFFAOYSA-N
XLogP1.25
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine
CID 104978674
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114808715
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64544855
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
CID 115329454
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
CID 63000153
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780
N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 115532303
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone (CID 114815388) is 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(NS(=O)(=O)NCC(C)C)n1.
What is the InChIKey of 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is SWGVUGJIJGDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-6(2)4-10-17(14,15)12-9-11-8(5-16-9)7(3)13/h5-6,10H,4H2,1-3H3,(H,11,12).
What are the key properties of 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone?
1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 114815388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).