5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C14H19N3O2S2 — CID 103378214

IUPAC5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCc1ccc(C(C)Nc2snc(N)c2S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O2S2/c1-4-10-5-7-11(8-6-10)9(2)16-14-12(21(3,18)19)13(15)17-20-14/h5-9,16H,4H2,1-3H3,(H2,15,17)
InChIKeyJFXVHVOKSFCWHE-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.86
Rot. Bonds5

About 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103378214) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103378214
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCc1ccc(C(C)Nc2snc(N)c2S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O2S2/c1-4-10-5-7-11(8-6-10)9(2)16-14-12(21(3,18)19)13(15)17-20-14/h5-9,16H,4H2,1-3H3,(H2,15,17)
InChIKeyJFXVHVOKSFCWHE-UHFFFAOYSA-N
XLogP2.86
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359177
5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 106015690
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
4-ethylsulfonyl-5-N-(1-methoxy-3-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359815
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383777
2-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
CID 103384035

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103378214) is 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CCc1ccc(C(C)Nc2snc(N)c2S(C)(=O)=O)cc1.
What is the InChIKey of 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is JFXVHVOKSFCWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-10-5-7-11(8-6-10)9(2)16-14-12(21(3,18)19)13(15)17-20-14/h5-9,16H,4H2,1-3H3,(H2,15,17).
What are the key properties of 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 325.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).