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

C13H17N3O2S2 — CID 103379939

IUPAC5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCc1cccc(CCNc2snc(N)c2S(C)(=O)=O)c1
InChIInChI=1S/C13H17N3O2S2/c1-9-4-3-5-10(8-9)6-7-15-13-11(20(2,17)18)12(14)16-19-13/h3-5,8,15H,6-7H2,1-2H3,(H2,14,16)
InChIKeyNBDFOOBJSJPVPA-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.09
Rot. Bonds5

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

5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103379939) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103379939
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCc1cccc(CCNc2snc(N)c2S(C)(=O)=O)c1
InChIInChI=1S/C13H17N3O2S2/c1-9-4-3-5-10(8-9)6-7-15-13-11(20(2,17)18)12(14)16-19-13/h3-5,8,15H,6-7H2,1-2H3,(H2,14,16)
InChIKeyNBDFOOBJSJPVPA-UHFFFAOYSA-N
XLogP2.09
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364034
5-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382558
5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383159
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378174
5-N-[(2,5-difluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103380643
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364171
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382745
N-[2-(3-methylphenyl)ethyl]-3-methylsulfonyl-4-nitroaniline
CID 133400838
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103379939) is 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is Cc1cccc(CCNc2snc(N)c2S(C)(=O)=O)c1.
What is the InChIKey of 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is NBDFOOBJSJPVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-4-3-5-10(8-9)6-7-15-13-11(20(2,17)18)12(14)16-19-13/h3-5,8,15H,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103379939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).