4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine

C9H17N3O2S2 — CID 103363342

IUPAC4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(C)C
InChIInChI=1S/C9H17N3O2S2/c1-4-16(13,14)7-8(10)12-15-9(7)11-5-6(2)3/h6,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyQOILECUUYMCNKZ-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.59
Rot. Bonds5

About 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363342) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103363342
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(C)C
InChIInChI=1S/C9H17N3O2S2/c1-4-16(13,14)7-8(10)12-15-9(7)11-5-6(2)3/h6,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyQOILECUUYMCNKZ-UHFFFAOYSA-N
XLogP1.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103363369
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide
CID 103365050
5-N-but-3-enyl-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365459
4-ethylsulfonyl-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364732
4-ethylsulfonyl-5-N-[(4-methylcyclohexyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361172
4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359730
5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365719
4-ethylsulfonyl-5-N-(1-methoxy-3-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359815
4-ethylsulfonyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 106029236
5-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150457
5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine (CID 103363342) is 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NCC(C)C.
What is the InChIKey of 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is QOILECUUYMCNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c1-4-16(13,14)7-8(10)12-15-9(7)11-5-6(2)3/h6,11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).