3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide

C9H14N6O3S2 — CID 106412740

IUPAC3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C9H14N6O3S2/c1-15(2)20(16,17)7-8(10)14-19-9(7)11-4-3-6-12-5-13-18-6/h5,11H,3-4H2,1-2H3,(H2,10,14)
InChIKeyYUWSLJFVFWRFDE-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.01
Rot. Bonds6

About 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide (PubChem CID 106412740) has the molecular formula C9H14N6O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide
PubChem CID106412740
Molecular FormulaC9H14N6O3S2
Molecular Weight318.38 g/mol
Exact Mass318.06
IUPAC Name3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C9H14N6O3S2/c1-15(2)20(16,17)7-8(10)14-19-9(7)11-4-3-6-12-5-13-18-6/h5,11H,3-4H2,1-2H3,(H2,10,14)
InChIKeyYUWSLJFVFWRFDE-UHFFFAOYSA-N
XLogP0.01
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide (CID 106412740) is 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NCCc1ncno1.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide?
The InChIKey is YUWSLJFVFWRFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3S2/c1-15(2)20(16,17)7-8(10)14-19-9(7)11-4-3-6-12-5-13-18-6/h5,11H,3-4H2,1-2H3,(H2,10,14).
What are the key properties of 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide has a molecular weight of 318.38 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 106412740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).