2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide

C8H12ClN3O3S2 — CID 43456249

IUPAC2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C8H12ClN3O3S2/c1-5-7(16-8(9)11-5)17(14,15)12(3)4-6(13)10-2/h4H2,1-3H3,(H,10,13)
InChIKeyOVDRLLGSXZBXLX-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.47
Rot. Bonds4

About 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide

2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 43456249) has the molecular formula C8H12ClN3O3S2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID43456249
Molecular FormulaC8H12ClN3O3S2
Molecular Weight297.79 g/mol
Exact Mass297.00
IUPAC Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C8H12ClN3O3S2/c1-5-7(16-8(9)11-5)17(14,15)12(3)4-6(13)10-2/h4H2,1-3H3,(H,10,13)
InChIKeyOVDRLLGSXZBXLX-UHFFFAOYSA-N
XLogP0.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 61042427
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046346
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 113248627
2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61047405
methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 61047061
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744536
2-chloro-N-(furan-3-ylmethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61422760
2-chloro-N-cyclopropyl-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 43456224
2-chloro-N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 63236535
N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61047016
2-chloro-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 60744535
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
CID 61041117

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide (CID 43456249) is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is OVDRLLGSXZBXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S2/c1-5-7(16-8(9)11-5)17(14,15)12(3)4-6(13)10-2/h4H2,1-3H3,(H,10,13).
What are the key properties of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide?
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 297.79 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43456249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).