N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide

C12H15N3O2S2 — CID 115928799

IUPACN-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1cccc(NS(C)(=O)=O)c1)c1cncs1
InChIInChI=1S/C12H15N3O2S2/c1-9(12-7-13-8-18-12)14-10-4-3-5-11(6-10)15-19(2,16)17/h3-9,14-15H,1-2H3
InChIKeyJDQODBJSKWUVCU-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.69
Rot. Bonds5

About N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide

N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide (PubChem CID 115928799) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
PubChem CID115928799
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1cccc(NS(C)(=O)=O)c1)c1cncs1
InChIInChI=1S/C12H15N3O2S2/c1-9(12-7-13-8-18-12)14-10-4-3-5-11(6-10)15-19(2,16)17/h3-9,14-15H,1-2H3
InChIKeyJDQODBJSKWUVCU-UHFFFAOYSA-N
XLogP2.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]urea
CID 115928663
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
1-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917295
3-iodo-4-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917182
N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
CID 115713369
N-[3-[1-(3-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43109245
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452
N-[3-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284551
N-[3-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]methanesulfonamide
CID 34284543
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide (CID 115928799) is N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide is CC(Nc1cccc(NS(C)(=O)=O)c1)c1cncs1.
What is the InChIKey of N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is JDQODBJSKWUVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9(12-7-13-8-18-12)14-10-4-3-5-11(6-10)15-19(2,16)17/h3-9,14-15H,1-2H3.
What are the key properties of N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide?
N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 115928799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).