3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide

C9H14ClN3O3S2 — CID 61041117

IUPAC3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCC(=O)N(C)C
InChIInChI=1S/C9H14ClN3O3S2/c1-6-8(17-9(10)12-6)18(15,16)11-5-4-7(14)13(2)3/h11H,4-5H2,1-3H3
InChIKeyMNHXISIQQWPCBO-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.86
Rot. Bonds5

About 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide

3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 61041117) has the molecular formula C9H14ClN3O3S2 and a molecular weight of 311.82 g/mol. Its IUPAC name is 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID61041117
Molecular FormulaC9H14ClN3O3S2
Molecular Weight311.82 g/mol
Exact Mass311.02
IUPAC Name3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCC(=O)N(C)C
InChIInChI=1S/C9H14ClN3O3S2/c1-6-8(17-9(10)12-6)18(15,16)11-5-4-7(14)13(2)3/h11H,4-5H2,1-3H3
InChIKeyMNHXISIQQWPCBO-UHFFFAOYSA-N
XLogP0.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoate
CID 61053412
4-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]butanoic acid
CID 61249811
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]ethyl carbamate
CID 83210333
2-chloro-4-methyl-N-(2-methylsulfanylethyl)-1,3-thiazole-5-sulfonamide
CID 61053561
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62844893
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-2-hydroxypropanamide
CID 106173704
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
2-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 61052463
2-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 104858839
2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
CID 79550454
2-chloro-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415395
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
CID 43456249

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide (CID 61041117) is 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide is Cc1nc(Cl)sc1S(=O)(=O)NCCC(=O)N(C)C.
What is the InChIKey of 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is MNHXISIQQWPCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S2/c1-6-8(17-9(10)12-6)18(15,16)11-5-4-7(14)13(2)3/h11H,4-5H2,1-3H3.
What are the key properties of 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide?
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 311.82 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61041117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).