5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine

C13H26N4O2S2 — CID 103360387

IUPAC5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NC(C)CN(CC)CC
InChIInChI=1S/C13H26N4O2S2/c1-5-8-21(18,19)11-12(14)16-20-13(11)15-10(4)9-17(6-2)7-3/h10,15H,5-9H2,1-4H3,(H2,14,16)
InChIKeyZIHMNJFUBIICBY-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.05
Rot. Bonds9

About 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine

5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103360387) has the molecular formula C13H26N4O2S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103360387
Molecular FormulaC13H26N4O2S2
Molecular Weight334.51 g/mol
Exact Mass334.15
IUPAC Name5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1NC(C)CN(CC)CC
InChIInChI=1S/C13H26N4O2S2/c1-5-8-21(18,19)11-12(14)16-20-13(11)15-10(4)9-17(6-2)7-3/h10,15H,5-9H2,1-4H3,(H2,14,16)
InChIKeyZIHMNJFUBIICBY-UHFFFAOYSA-N
XLogP2.05
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363481
5-N-(1-cyclobutylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365777
4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359730
5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362189
N-[2-[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)amino]ethyl]acetamide
CID 103364028
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361069
4-ethylsulfonyl-5-N-(1-piperidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103360047
3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide
CID 103359978
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
4-propylsulfonyl-5-N-(2-pyrazol-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103359563
4-propylsulfonyl-5-N-[1-(trifluoromethyl)cyclopropyl]-1,2-thiazole-3,5-diamine
CID 106218886
5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362220

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103360387) is 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1NC(C)CN(CC)CC.
What is the InChIKey of 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZIHMNJFUBIICBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S2/c1-5-8-21(18,19)11-12(14)16-20-13(11)15-10(4)9-17(6-2)7-3/h10,15H,5-9H2,1-4H3,(H2,14,16).
What are the key properties of 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 334.51 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).