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

C9H16N2O3S2 — CID 137443252

IUPACN-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(CCO)s1
InChIInChI=1S/C9H16N2O3S2/c1-9(2,3)11-16(13,14)8-6-10-7(15-8)4-5-12/h6,11-12H,4-5H2,1-3H3
InChIKeyJJFQJMTUUXDNOI-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.75
Rot. Bonds4

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

N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 137443252) has the molecular formula C9H16N2O3S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide
PubChem CID137443252
Molecular FormulaC9H16N2O3S2
Molecular Weight264.37 g/mol
Exact Mass264.06
IUPAC NameN-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(CCO)s1
InChIInChI=1S/C9H16N2O3S2/c1-9(2,3)11-16(13,14)8-6-10-7(15-8)4-5-12/h6,11-12H,4-5H2,1-3H3
InChIKeyJJFQJMTUUXDNOI-UHFFFAOYSA-N
XLogP0.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.75
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-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide (CID 137443252) is N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide is CC(C)(C)NS(=O)(=O)c1cnc(CCO)s1.
What is the InChIKey of N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is JJFQJMTUUXDNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S2/c1-9(2,3)11-16(13,14)8-6-10-7(15-8)4-5-12/h6,11-12H,4-5H2,1-3H3.
What are the key properties of N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide?
N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 264.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-hydroxyethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 137443252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).