3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C9H18N4O3S2 — CID 103360630

IUPAC3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCN(CCO)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C9H18N4O3S2/c1-4-13(5-6-14)9-7(8(10)11-17-9)18(15,16)12(2)3/h14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyPPMWOOPFMYVIBW-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.21
Rot. Bonds6

About 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103360630) has the molecular formula C9H18N4O3S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103360630
Molecular FormulaC9H18N4O3S2
Molecular Weight294.40 g/mol
Exact Mass294.08
IUPAC Name3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCN(CCO)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C9H18N4O3S2/c1-4-13(5-6-14)9-7(8(10)11-17-9)18(15,16)12(2)3/h14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyPPMWOOPFMYVIBW-UHFFFAOYSA-N
XLogP-0.21
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103362965
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
CID 103362628
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
5-N-[3-(dimethylamino)propyl]-5-N-ethyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365992
3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360593
5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381909
5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362220
4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103349899
5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362189
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 106259011
2-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
CID 103384035

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103360630) is 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CCN(CCO)c1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is PPMWOOPFMYVIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S2/c1-4-13(5-6-14)9-7(8(10)11-17-9)18(15,16)12(2)3/h14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 294.40 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103360630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).