4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine

C13H19N3O2S3 — CID 103360127

IUPAC4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC(c1cccs1)C(C)C
InChIInChI=1S/C13H19N3O2S3/c1-4-21(17,18)11-12(14)16-20-13(11)15-10(8(2)3)9-6-5-7-19-9/h5-8,10,15H,4H2,1-3H3,(H2,14,16)
InChIKeyLBEITGPAGXMYFK-UHFFFAOYSA-N
MW345.52 g/mol
LogP3.39
Rot. Bonds6

About 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360127) has the molecular formula C13H19N3O2S3 and a molecular weight of 345.52 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103360127
Molecular FormulaC13H19N3O2S3
Molecular Weight345.52 g/mol
Exact Mass345.06
IUPAC Name4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC(c1cccs1)C(C)C
InChIInChI=1S/C13H19N3O2S3/c1-4-21(17,18)11-12(14)16-20-13(11)15-10(8(2)3)9-6-5-7-19-9/h5-8,10,15H,4H2,1-3H3,(H2,14,16)
InChIKeyLBEITGPAGXMYFK-UHFFFAOYSA-N
XLogP3.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(2-methyl-1-thiophen-2-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360130
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
4-ethylsulfonyl-5-N-methyl-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360412
4-ethoxy-5-N-(1-thiophen-2-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360094
5-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378214
4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103364864
3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 62477928
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide
CID 62157709
2,6-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 65469347
4-ethylsulfonyl-5-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2-thiazole-3,5-diamine
CID 103364621

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine (CID 103360127) is 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NC(c1cccs1)C(C)C.
What is the InChIKey of 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is LBEITGPAGXMYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S3/c1-4-21(17,18)11-12(14)16-20-13(11)15-10(8(2)3)9-6-5-7-19-9/h5-8,10,15H,4H2,1-3H3,(H2,14,16).
What are the key properties of 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 345.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).