1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide

C11H17N5O2S2 — CID 79373456

IUPAC1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2nc(C(C)NC)cs2)c1
InChIInChI=1S/C11H17N5O2S2/c1-4-16-5-10(13-7-16)20(17,18)15-11-14-9(6-19-11)8(2)12-3/h5-8,12H,4H2,1-3H3,(H,14,15)
InChIKeyMPLIKXSYVBHEGR-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.44
Rot. Bonds6

About 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide

1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide (PubChem CID 79373456) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide
PubChem CID79373456
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2nc(C(C)NC)cs2)c1
InChIInChI=1S/C11H17N5O2S2/c1-4-16-5-10(13-7-16)20(17,18)15-11-14-9(6-19-11)8(2)12-3/h5-8,12H,4H2,1-3H3,(H,14,15)
InChIKeyMPLIKXSYVBHEGR-UHFFFAOYSA-N
XLogP1.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide (CID 79373456) is 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2nc(C(C)NC)cs2)c1.
What is the InChIKey of 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide?
The InChIKey is MPLIKXSYVBHEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-4-16-5-10(13-7-16)20(17,18)15-11-14-9(6-19-11)8(2)12-3/h5-8,12H,4H2,1-3H3,(H,14,15).
What are the key properties of 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide?
1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 79373456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).