2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide

C9H16ClN3O3S2 — CID 62845217

IUPAC2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H16ClN3O3S2/c1-13(5-6-16-2)4-3-12-18(14,15)8-7-11-9(10)17-8/h7,12H,3-6H2,1-2H3
InChIKeyIUDHUALPRNNYKC-UHFFFAOYSA-N
MW313.83 g/mol
LogP0.65
Rot. Bonds8

About 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 62845217) has the molecular formula C9H16ClN3O3S2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID62845217
Molecular FormulaC9H16ClN3O3S2
Molecular Weight313.83 g/mol
Exact Mass313.03
IUPAC Name2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H16ClN3O3S2/c1-13(5-6-16-2)4-3-12-18(14,15)8-7-11-9(10)17-8/h7,12H,3-6H2,1-2H3
InChIKeyIUDHUALPRNNYKC-UHFFFAOYSA-N
XLogP0.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
CID 106033856
3-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 113409837
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 62844893
2-chloro-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-sulfonamide
CID 104760009
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62850113
2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
CID 91812348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide (CID 62845217) is 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide is COCCN(C)CCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is IUDHUALPRNNYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O3S2/c1-13(5-6-16-2)4-3-12-18(14,15)8-7-11-9(10)17-8/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 313.83 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62845217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).