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

C10H16ClN3O3S2 — CID 61046346

IUPAC2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H16ClN3O3S2/c1-4-5-14(6-8(15)12-3)19(16,17)9-7(2)13-10(11)18-9/h4-6H2,1-3H3,(H,12,15)
InChIKeyNAGABTISSPIVFA-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.25
Rot. Bonds6

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

2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide (PubChem CID 61046346) has the molecular formula C10H16ClN3O3S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
PubChem CID61046346
Molecular FormulaC10H16ClN3O3S2
Molecular Weight325.84 g/mol
Exact Mass325.03
IUPAC Name2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H16ClN3O3S2/c1-4-5-14(6-8(15)12-3)19(16,17)9-7(2)13-10(11)18-9/h4-6H2,1-3H3,(H,12,15)
InChIKeyNAGABTISSPIVFA-UHFFFAOYSA-N
XLogP1.25
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]acetate
CID 61047061
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-methylacetamide
CID 43456249
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046163
2-chloro-N-(cyclopropylmethyl)-4-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 61053573
2-chloro-N,N-bis(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61047405
N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
CID 61042427
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 113248627
2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 47298920
5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid
CID 63329047
N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 52698039
2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
CID 54985267
2-[[4-(2-chloroethyl)phenyl]sulfonyl-propylamino]-N-methylacetamide
CID 61042103

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide (CID 61046346) is 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)S(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide?
The InChIKey is NAGABTISSPIVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S2/c1-4-5-14(6-8(15)12-3)19(16,17)9-7(2)13-10(11)18-9/h4-6H2,1-3H3,(H,12,15).
What are the key properties of 2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide?
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide has a molecular weight of 325.84 g/mol, XLogP of 1.25, 6 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-propylamino]-N-methylacetamide is sourced from PubChem (CID 61046346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).