4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide

C14H19N3O2S2 — CID 43681920

IUPAC4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCc1nc(C(C)NC(C)c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-9(16-10(2)14-8-20-11(3)17-14)12-4-6-13(7-5-12)21(15,18)19/h4-10,16H,1-3H3,(H2,15,18,19)
InChIKeyNWXCXAJLCDEQJA-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.51
Rot. Bonds5

About 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide

4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide (PubChem CID 43681920) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
PubChem CID43681920
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCc1nc(C(C)NC(C)c2ccc(S(N)(=O)=O)cc2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-9(16-10(2)14-8-20-11(3)17-14)12-4-6-13(7-5-12)21(15,18)19/h4-10,16H,1-3H3,(H2,15,18,19)
InChIKeyNWXCXAJLCDEQJA-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide (CID 43681920) is 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide is Cc1nc(C(C)NC(C)c2ccc(S(N)(=O)=O)cc2)cs1.
What is the InChIKey of 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is NWXCXAJLCDEQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-9(16-10(2)14-8-20-11(3)17-14)12-4-6-13(7-5-12)21(15,18)19/h4-10,16H,1-3H3,(H2,15,18,19).
What are the key properties of 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide?
4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 43681920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).