3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide

C8H12ClN3O3S2 — CID 61042691

IUPAC3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H12ClN3O3S2/c1-12(2)6(13)3-4-11-17(14,15)7-5-10-8(9)16-7/h5,11H,3-4H2,1-2H3
InChIKeyNLLVHLQQQJVPDW-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.55
Rot. Bonds5

About 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide

3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 61042691) has the molecular formula C8H12ClN3O3S2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID61042691
Molecular FormulaC8H12ClN3O3S2
Molecular Weight297.79 g/mol
Exact Mass297.00
IUPAC Name3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H12ClN3O3S2/c1-12(2)6(13)3-4-11-17(14,15)7-5-10-8(9)16-7/h5,11H,3-4H2,1-2H3
InChIKeyNLLVHLQQQJVPDW-UHFFFAOYSA-N
XLogP0.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]propanamide
CID 136536037
N-(1,3-thiazol-5-ylsulfonyl)acetamide
CID 67625045
2-(5-Sulfamoyl-1,3-thiazol-2-yl)propanamide
CID 70127425
2-(5-Sulfamoyl-1,3-thiazol-2-yl)acetamide
CID 70129245
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-chloro-N-propyl-1,3-thiazole-5-sulfonamide
CID 43455767
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 43455786
2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 43455803
2-chloro-N-[3-(dimethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 43455813
2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazole-5-sulfonamide
CID 43455856
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-methylacetamide
CID 43455967
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43455968

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide (CID 61042691) is 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is NLLVHLQQQJVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S2/c1-12(2)6(13)3-4-11-17(14,15)7-5-10-8(9)16-7/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide?
3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 297.79 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61042691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).