N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide

C13H23N3O3S2 — CID 87553974

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide
SMILESCCNS(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H23N3O3S2/c1-7-14-21(18,19)13(5,6)10(17)16-11-15-9(8-20-11)12(2,3)4/h8,14H,7H2,1-6H3,(H,15,16,17)
InChIKeyKDJCJSLYYHOULZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.10
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide (PubChem CID 87553974) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide
PubChem CID87553974
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide
SMILESCCNS(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H23N3O3S2/c1-7-14-21(18,19)13(5,6)10(17)16-11-15-9(8-20-11)12(2,3)4/h8,14H,7H2,1-6H3,(H,15,16,17)
InChIKeyKDJCJSLYYHOULZ-UHFFFAOYSA-N
XLogP2.10
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
CID 59662703
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 59662671
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-tert-butylsulfonyl-2-methylpropanamide;2-tert-butylsulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 160651237
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide
CID 159459316
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
CID 55121500
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615669
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287156

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide (CID 87553974) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide is CCNS(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide?
The InChIKey is KDJCJSLYYHOULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-7-14-21(18,19)13(5,6)10(17)16-11-15-9(8-20-11)12(2,3)4/h8,14H,7H2,1-6H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide has a molecular weight of 333.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide is sourced from PubChem (CID 87553974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).