1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide

C11H17N5O2S2 — CID 106060932

IUPAC1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)Nc2ncc(C)s2)cn1
InChIInChI=1S/C11H17N5O2S2/c1-3-12-4-5-16-8-10(7-14-16)20(17,18)15-11-13-6-9(2)19-11/h6-8,12H,3-5H2,1-2H3,(H,13,15)
InChIKeyIIDNSOHICVSMAD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.06
Rot. Bonds7

About 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide

1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 106060932) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID106060932
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCNCCn1cc(S(=O)(=O)Nc2ncc(C)s2)cn1
InChIInChI=1S/C11H17N5O2S2/c1-3-12-4-5-16-8-10(7-14-16)20(17,18)15-11-13-6-9(2)19-11/h6-8,12H,3-5H2,1-2H3,(H,13,15)
InChIKeyIIDNSOHICVSMAD-UHFFFAOYSA-N
XLogP1.06
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511036
1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087991
4-(ethylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822034
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106054788
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
CID 106378170
N-(3-bromophenyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106061520
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031917
4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106061084
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide (CID 106060932) is 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide is CCNCCn1cc(S(=O)(=O)Nc2ncc(C)s2)cn1.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is IIDNSOHICVSMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-3-12-4-5-16-8-10(7-14-16)20(17,18)15-11-13-6-9(2)19-11/h6-8,12H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide?
1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106060932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).