N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide

C12H15N3O3S2 — CID 64545476

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide
SMILESCC(O)c1csc(NS(=O)(=O)CCc2ccccn2)n1
InChIInChI=1S/C12H15N3O3S2/c1-9(16)11-8-19-12(14-11)15-20(17,18)7-5-10-4-2-3-6-13-10/h2-4,6,8-9,16H,5,7H2,1H3,(H,14,15)
InChIKeyWSKALVXORVSDAL-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.58
Rot. Bonds6

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 64545476) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide
PubChem CID64545476
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide
SMILESCC(O)c1csc(NS(=O)(=O)CCc2ccccn2)n1
InChIInChI=1S/C12H15N3O3S2/c1-9(16)11-8-19-12(14-11)15-20(17,18)7-5-10-4-2-3-6-13-10/h2-4,6,8-9,16H,5,7H2,1H3,(H,14,15)
InChIKeyWSKALVXORVSDAL-UHFFFAOYSA-N
XLogP1.58
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide
CID 64573299
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropane-1-sulfonamide
CID 64572438
ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate
CID 64543438
1-[2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64543792
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate
CID 25046544
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide (CID 64545476) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide is CC(O)c1csc(NS(=O)(=O)CCc2ccccn2)n1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is WSKALVXORVSDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-9(16)11-8-19-12(14-11)15-20(17,18)7-5-10-4-2-3-6-13-10/h2-4,6,8-9,16H,5,7H2,1H3,(H,14,15).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 64545476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).