N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide

C9H16N2O3S2 — CID 137443389

IUPACN-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(O)c1ncc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C9H16N2O3S2/c1-6(12)8-10-5-7(15-8)16(13,14)11-9(2,3)4/h5-6,11-12H,1-4H3
InChIKeyXVFZLRLEZOHRQO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.27
Rot. Bonds3

About N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide

N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 137443389) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide
PubChem CID137443389
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC NameN-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(O)c1ncc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C9H16N2O3S2/c1-6(12)8-10-5-7(15-8)16(13,14)11-9(2,3)4/h5-6,11-12H,1-4H3
InChIKeyXVFZLRLEZOHRQO-UHFFFAOYSA-N
XLogP1.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide (CID 137443389) is N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide is CC(O)c1ncc(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is XVFZLRLEZOHRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-6(12)8-10-5-7(15-8)16(13,14)11-9(2,3)4/h5-6,11-12H,1-4H3.
What are the key properties of N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-hydroxyethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 137443389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).