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

C10H16ClN3O3S2 — CID 113248627

IUPAC3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H16ClN3O3S2/c1-6(8(15)12-3)5-14(4)19(16,17)9-7(2)13-10(11)18-9/h6H,5H2,1-4H3,(H,12,15)
InChIKeyWMUGBKRFDDMOGU-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.11
Rot. Bonds5

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

3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 113248627) has the molecular formula C10H16ClN3O3S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
PubChem CID113248627
Molecular FormulaC10H16ClN3O3S2
Molecular Weight325.84 g/mol
Exact Mass325.03
IUPAC Name3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H16ClN3O3S2/c1-6(8(15)12-3)5-14(4)19(16,17)9-7(2)13-10(11)18-9/h6H,5H2,1-4H3,(H,12,15)
InChIKeyWMUGBKRFDDMOGU-UHFFFAOYSA-N
XLogP1.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide (CID 113248627) is 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is WMUGBKRFDDMOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S2/c1-6(8(15)12-3)5-14(4)19(16,17)9-7(2)13-10(11)18-9/h6H,5H2,1-4H3,(H,12,15).
What are the key properties of 3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide?
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 325.84 g/mol, XLogP of 1.11, 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)sulfonyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 113248627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).