N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C17H19N3O2S3 — CID 47027508

IUPACN-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCCN(c1ccc(-c2csc(Cc3csc(C)n3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19N3O2S3/c1-4-20(25(3,21)22)15-7-5-13(6-8-15)16-11-24-17(19-16)9-14-10-23-12(2)18-14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyZDXLUSGJNBXKIP-UHFFFAOYSA-N
MW393.56 g/mol
LogP3.95
Rot. Bonds6

About N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 47027508) has the molecular formula C17H19N3O2S3 and a molecular weight of 393.56 g/mol. Its IUPAC name is N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID47027508
Molecular FormulaC17H19N3O2S3
Molecular Weight393.56 g/mol
Exact Mass393.06
IUPAC NameN-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCCN(c1ccc(-c2csc(Cc3csc(C)n3)n2)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19N3O2S3/c1-4-20(25(3,21)22)15-7-5-13(6-8-15)16-11-24-17(19-16)9-14-10-23-12(2)18-14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyZDXLUSGJNBXKIP-UHFFFAOYSA-N
XLogP3.95
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 9173901
2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 55630104
N-[4-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 8891148
N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 166184350
2-[N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)anilino]ethanol
CID 125472013
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
3-methyl-5-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 122146639
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonic acid
CID 118293667
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carbaldehyde
CID 62800362
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 47027508) is N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CCN(c1ccc(-c2csc(Cc3csc(C)n3)n2)cc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is ZDXLUSGJNBXKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S3/c1-4-20(25(3,21)22)15-7-5-13(6-8-15)16-11-24-17(19-16)9-14-10-23-12(2)18-14/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 393.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 47027508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).