4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide

C13H18N4O2S2 — CID 82900229

IUPAC4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
SMILESCc1nc(C)c(C(C)Nc2cc(S(N)(=O)=O)ccc2N)s1
InChIInChI=1S/C13H18N4O2S2/c1-7-13(20-9(3)16-7)8(2)17-12-6-10(21(15,18)19)4-5-11(12)14/h4-6,8,17H,14H2,1-3H3,(H2,15,18,19)
InChIKeyDJJIHZZSTHYUMK-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.16
Rot. Bonds4

About 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide

4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 82900229) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID82900229
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
SMILESCc1nc(C)c(C(C)Nc2cc(S(N)(=O)=O)ccc2N)s1
InChIInChI=1S/C13H18N4O2S2/c1-7-13(20-9(3)16-7)8(2)17-12-6-10(21(15,18)19)4-5-11(12)14/h4-6,8,17H,14H2,1-3H3,(H2,15,18,19)
InChIKeyDJJIHZZSTHYUMK-UHFFFAOYSA-N
XLogP2.16
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 63751444
4-amino-3-[1-(5-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 82907089
4-amino-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]benzenesulfonamide
CID 82899595
2-chloro-1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzene-1,4-diamine
CID 55151089
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzenesulfonamide
CID 61193213
4-amino-3-[1-(2H-tetrazol-5-yl)ethylamino]benzenesulfonamide
CID 82907095
4-amino-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 82907687
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-nitroaniline
CID 47299091
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,4-difluorobenzene-1,2-diamine
CID 62532682
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylic acid
CID 114405911
2-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 115545340
5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxamide
CID 114405909

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide (CID 82900229) is 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide is Cc1nc(C)c(C(C)Nc2cc(S(N)(=O)=O)ccc2N)s1.
What is the InChIKey of 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is DJJIHZZSTHYUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-7-13(20-9(3)16-7)8(2)17-12-6-10(21(15,18)19)4-5-11(12)14/h4-6,8,17H,14H2,1-3H3,(H2,15,18,19).
What are the key properties of 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide?
4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 82900229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).