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

C11H12N4O3S2 — CID 60812776

IUPACN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ncc(C#CCN)s2)no1
InChIInChI=1S/C11H12N4O3S2/c1-8-5-9(14-18-8)7-20(16,17)15-11-13-6-10(19-11)3-2-4-12/h5-6H,4,7,12H2,1H3,(H,13,15)
InChIKeyAAQYFWKHOYLSQI-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.69
Rot. Bonds4

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

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 60812776) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID60812776
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)Nc2ncc(C#CCN)s2)no1
InChIInChI=1S/C11H12N4O3S2/c1-8-5-9(14-18-8)7-20(16,17)15-11-13-6-10(19-11)3-2-4-12/h5-6H,4,7,12H2,1H3,(H,13,15)
InChIKeyAAQYFWKHOYLSQI-UHFFFAOYSA-N
XLogP0.69
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 60812776) is N-[5-(3-aminoprop-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-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)Nc2ncc(C#CCN)s2)no1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is AAQYFWKHOYLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c1-8-5-9(14-18-8)7-20(16,17)15-11-13-6-10(19-11)3-2-4-12/h5-6H,4,7,12H2,1H3,(H,13,15).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 312.38 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 60812776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).