N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C11H11N3O4S2 — CID 60815083

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ncc(C#CCO)s2)no1
InChIInChI=1S/C11H11N3O4S2/c1-8-5-9(13-18-8)7-20(16,17)14-11-12-6-10(19-11)3-2-4-15/h5-6,15H,4,7H2,1H3,(H,12,14)
InChIKeySBPAOUQBMLYMMJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.73
Rot. Bonds4

About N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 60815083) has the molecular formula C11H11N3O4S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID60815083
Molecular FormulaC11H11N3O4S2
Molecular Weight313.36 g/mol
Exact Mass313.02
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ncc(C#CCO)s2)no1
InChIInChI=1S/C11H11N3O4S2/c1-8-5-9(13-18-8)7-20(16,17)14-11-12-6-10(19-11)3-2-4-15/h5-6,15H,4,7H2,1H3,(H,12,14)
InChIKeySBPAOUQBMLYMMJ-UHFFFAOYSA-N
XLogP0.73
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 60815083) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)Nc2ncc(C#CCO)s2)no1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is SBPAOUQBMLYMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S2/c1-8-5-9(13-18-8)7-20(16,17)14-11-12-6-10(19-11)3-2-4-15/h5-6,15H,4,7H2,1H3,(H,12,14).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 313.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 60815083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).