2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide

C11H17N3O3S2 — CID 50956211

IUPAC2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCS(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C11H17N3O3S2/c1-9-13-10(8-18-9)11(15)12-4-7-19(16,17)14-5-2-3-6-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyNWLYAVALEAOQLT-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.61
Rot. Bonds5

About 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide

2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 50956211) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
PubChem CID50956211
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCS(=O)(=O)N2CCCC2)cs1
InChIInChI=1S/C11H17N3O3S2/c1-9-13-10(8-18-9)11(15)12-4-7-19(16,17)14-5-2-3-6-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyNWLYAVALEAOQLT-UHFFFAOYSA-N
XLogP0.61
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dimethyl(3-(((2'-methyl(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)sulfonium chloride
CID 72644
1-(Ethylsulfonyl)-4-[(2-propyl-1,3-thiazol-4-yl)carbonyl]piperazine
CID 50966452
[(4aS,7aR)-4-methylsulfonyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 70707231
Acetyldipeptide A2
CID 133737
2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 325407
2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide
CID 325516
N-[3-(4-aminobutylamino)propyl]-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 15380913
2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 24198359
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1,3-thiazole-4-carboxamide
CID 91911095
N-[3-(4-aminobutylamino)propyl]-2-[2-[2-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 172470089
(3-(((2'-(2-(Acetylamino)ethyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethylsulfonium chloride
CID 153682
2-[2-(2-aminoethyl)-3H-thiazol-1-ium-4-yl]-N-(3-methylsulfanylpropyl)thiazole-4-carboxamide
CID 499097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide (CID 50956211) is 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCS(=O)(=O)N2CCCC2)cs1.
What is the InChIKey of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NWLYAVALEAOQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-9-13-10(8-18-9)11(15)12-4-7-19(16,17)14-5-2-3-6-14/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50956211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).