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

C6H9ClN2O3S2 — CID 61051529

IUPAC2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCO)c1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2O3S2/c7-6-8-4-5(13-6)14(11,12)9-2-1-3-10/h4,9-10H,1-3H2
InChIKeyPOZQPWDDCAHDGK-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.46
Rot. Bonds5

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

2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61051529) has the molecular formula C6H9ClN2O3S2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
PubChem CID61051529
Molecular FormulaC6H9ClN2O3S2
Molecular Weight256.74 g/mol
Exact Mass255.97
IUPAC Name2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCO)c1cnc(Cl)s1
InChIInChI=1S/C6H9ClN2O3S2/c7-6-8-4-5(13-6)14(11,12)9-2-1-3-10/h4,9-10H,1-3H2
InChIKeyPOZQPWDDCAHDGK-UHFFFAOYSA-N
XLogP0.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.46
H-Bond Donors ≤ 52
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-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]ethoxy]acetamide
CID 106235531
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106396401
2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 65231952
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 43568485
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 113409837
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
CID 62845217
2-chloro-N-(2-hydroxy-4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 107151868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide (CID 61051529) is 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCCCO)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is POZQPWDDCAHDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O3S2/c7-6-8-4-5(13-6)14(11,12)9-2-1-3-10/h4,9-10H,1-3H2.
What are the key properties of 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 256.74 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).