5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine

C10H19N3O2S2 — CID 103362189

IUPAC5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1N(C)C(C)C
InChIInChI=1S/C10H19N3O2S2/c1-5-6-17(14,15)8-9(11)12-16-10(8)13(4)7(2)3/h7H,5-6H2,1-4H3,(H2,11,12)
InChIKeyUQNGOTHWNKKGIV-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.75
Rot. Bonds5

About 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine

5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103362189) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103362189
Molecular FormulaC10H19N3O2S2
Molecular Weight277.41 g/mol
Exact Mass277.09
IUPAC Name5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCCS(=O)(=O)c1c(N)nsc1N(C)C(C)C
InChIInChI=1S/C10H19N3O2S2/c1-5-6-17(14,15)8-9(11)12-16-10(8)13(4)7(2)3/h7H,5-6H2,1-4H3,(H2,11,12)
InChIKeyUQNGOTHWNKKGIV-UHFFFAOYSA-N
XLogP1.75
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362220
5-N-[3-(dimethylamino)propyl]-5-N-ethyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365992
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360766
3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol
CID 103363278
2-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
CID 103384035
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360387
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
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361069
4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103349196
3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
CID 103362628

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine (CID 103362189) is 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine is CCCS(=O)(=O)c1c(N)nsc1N(C)C(C)C.
What is the InChIKey of 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is UQNGOTHWNKKGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-5-6-17(14,15)8-9(11)12-16-10(8)13(4)7(2)3/h7H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 277.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).