5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine

C12H22N4O3S2 — CID 103363694

IUPAC5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCN1CCOCC1
InChIInChI=1S/C12H22N4O3S2/c1-2-9-21(17,18)10-11(13)15-20-12(10)14-3-4-16-5-7-19-8-6-16/h14H,2-9H2,1H3,(H2,13,15)
InChIKeyZQICFXRZPJXOSC-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.65
Rot. Bonds7

About 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103363694) has the molecular formula C12H22N4O3S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103363694
Molecular FormulaC12H22N4O3S2
Molecular Weight334.47 g/mol
Exact Mass334.11
IUPAC Name5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NCCN1CCOCC1
InChIInChI=1S/C12H22N4O3S2/c1-2-9-21(17,18)10-11(13)15-20-12(10)14-3-4-16-5-7-19-8-6-16/h14H,2-9H2,1H3,(H2,13,15)
InChIKeyZQICFXRZPJXOSC-UHFFFAOYSA-N
XLogP0.65
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383159
N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
CID 103364028
methyl 3-amino-5-(2-morpholin-4-ylethylamino)-1,2-thiazole-4-carboxylate
CID 103382611
5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 106044505
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359875
5-N-[(4-bromothiophen-2-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359632
5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361208
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511
4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine
CID 106218886
5-N-(1-cyclobutylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365777

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103363694) is 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NCCN1CCOCC1.
What is the InChIKey of 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZQICFXRZPJXOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S2/c1-2-9-21(17,18)10-11(13)15-20-12(10)14-3-4-16-5-7-19-8-6-16/h14H,2-9H2,1H3,(H2,13,15).
What are the key properties of 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 334.47 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).