2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide

C8H13ClN2O3S2 — CID 104760009

IUPAC2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O3S2/c1-6(2)14-4-3-11-16(12,13)7-5-10-8(9)15-7/h5-6,11H,3-4H2,1-2H3
InChIKeyRRSBZDFRGDHXAQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.50
Rot. Bonds6

About 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 104760009) has the molecular formula C8H13ClN2O3S2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
PubChem CID104760009
Molecular FormulaC8H13ClN2O3S2
Molecular Weight284.79 g/mol
Exact Mass284.01
IUPAC Name2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H13ClN2O3S2/c1-6(2)14-4-3-11-16(12,13)7-5-10-8(9)15-7/h5-6,11H,3-4H2,1-2H3
InChIKeyRRSBZDFRGDHXAQ-UHFFFAOYSA-N
XLogP1.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
CID 106033856
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethoxy]acetamide
CID 106235531
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
CID 62845217
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 113409837
2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 107151868
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106396401

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide (CID 104760009) is 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide is CC(C)OCCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RRSBZDFRGDHXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3S2/c1-6(2)14-4-3-11-16(12,13)7-5-10-8(9)15-7/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 284.79 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 104760009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).