2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide

C12H17N3O2S3 — CID 133412840

IUPAC2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
SMILESCCc1sc(C(C)Nc2ncc(S(N)(=O)=O)s2)cc1C
InChIInChI=1S/C12H17N3O2S3/c1-4-9-7(2)5-10(18-9)8(3)15-12-14-6-11(19-12)20(13,16)17/h5-6,8H,4H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyDOXOFFFODKYYSQ-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.90
Rot. Bonds5

About 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide

2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133412840) has the molecular formula C12H17N3O2S3 and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133412840
Molecular FormulaC12H17N3O2S3
Molecular Weight331.49 g/mol
Exact Mass331.05
IUPAC Name2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
SMILESCCc1sc(C(C)Nc2ncc(S(N)(=O)=O)s2)cc1C
InChIInChI=1S/C12H17N3O2S3/c1-4-9-7(2)5-10(18-9)8(3)15-12-14-6-11(19-12)20(13,16)17/h5-6,8H,4H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyDOXOFFFODKYYSQ-UHFFFAOYSA-N
XLogP2.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide (CID 133412840) is 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide is CCc1sc(C(C)Nc2ncc(S(N)(=O)=O)s2)cc1C.
What is the InChIKey of 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is DOXOFFFODKYYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S3/c1-4-9-7(2)5-10(18-9)8(3)15-12-14-6-11(19-12)20(13,16)17/h5-6,8H,4H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide?
2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 331.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133412840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).