N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide

C14H19N3O3S2 — CID 159212925

IUPACN-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide
SMILESCC(C)(O)c1ccc(NCCNS(=O)(=O)c2nccs2)cc1
InChIInChI=1S/C14H19N3O3S2/c1-14(2,18)11-3-5-12(6-4-11)15-7-8-17-22(19,20)13-16-9-10-21-13/h3-6,9-10,15,17-18H,7-8H2,1-2H3
InChIKeyKQSKPEBTFJRYCC-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.76
Rot. Bonds7

About N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide

N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide (PubChem CID 159212925) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide
PubChem CID159212925
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide
SMILESCC(C)(O)c1ccc(NCCNS(=O)(=O)c2nccs2)cc1
InChIInChI=1S/C14H19N3O3S2/c1-14(2,18)11-3-5-12(6-4-11)15-7-8-17-22(19,20)13-16-9-10-21-13/h3-6,9-10,15,17-18H,7-8H2,1-2H3
InChIKeyKQSKPEBTFJRYCC-UHFFFAOYSA-N
XLogP1.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide (CID 159212925) is N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide is CC(C)(O)c1ccc(NCCNS(=O)(=O)c2nccs2)cc1.
What is the InChIKey of N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide?
The InChIKey is KQSKPEBTFJRYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-14(2,18)11-3-5-12(6-4-11)15-7-8-17-22(19,20)13-16-9-10-21-13/h3-6,9-10,15,17-18H,7-8H2,1-2H3.
What are the key properties of N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide?
N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxypropan-2-yl)anilino]ethyl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 159212925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).