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

C8H13N3O3S2 — CID 114808715

IUPAC1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(NS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C8H13N3O3S2/c1-5(2)10-16(13,14)11-8-9-7(4-15-8)6(3)12/h4-5,10H,1-3H3,(H,9,11)
InChIKeyDLXDTTUMXDSERS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.00
Rot. Bonds5

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

1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone (PubChem CID 114808715) has the molecular formula C8H13N3O3S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
PubChem CID114808715
Molecular FormulaC8H13N3O3S2
Molecular Weight263.34 g/mol
Exact Mass263.04
IUPAC Name1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(NS(=O)(=O)NC(C)C)n1
InChIInChI=1S/C8H13N3O3S2/c1-5(2)10-16(13,14)11-8-9-7(4-15-8)6(3)12/h4-5,10H,1-3H3,(H,9,11)
InChIKeyDLXDTTUMXDSERS-UHFFFAOYSA-N
XLogP1.00
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114815388
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
CID 64557052
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62998514
N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine
CID 104978674
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)-2,5-dibromobenzenesulfonamide
CID 63000153

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone (CID 114808715) is 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(NS(=O)(=O)NC(C)C)n1.
What is the InChIKey of 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is DLXDTTUMXDSERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S2/c1-5(2)10-16(13,14)11-8-9-7(4-15-8)6(3)12/h4-5,10H,1-3H3,(H,9,11).
What are the key properties of 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone?
1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylsulfamoylamino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 114808715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).