N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide

C6H9N3O3S2 — CID 140561007

IUPACN-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide
SMILESCC(=O)NCNS(=O)(=O)c1cncs1
InChIInChI=1S/C6H9N3O3S2/c1-5(10)8-3-9-14(11,12)6-2-7-4-13-6/h2,4,9H,3H2,1H3,(H,8,10)
InChIKeyICRJMZYSTPGDPU-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.49
Rot. Bonds4

About N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide

N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide (PubChem CID 140561007) has the molecular formula C6H9N3O3S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide.

Molecular Properties

Compound NameN-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide
PubChem CID140561007
Molecular FormulaC6H9N3O3S2
Molecular Weight235.29 g/mol
Exact Mass235.01
IUPAC NameN-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide
SMILESCC(=O)NCNS(=O)(=O)c1cncs1
InChIInChI=1S/C6H9N3O3S2/c1-5(10)8-3-9-14(11,12)6-2-7-4-13-6/h2,4,9H,3H2,1H3,(H,8,10)
InChIKeyICRJMZYSTPGDPU-UHFFFAOYSA-N
XLogP-0.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide?
The IUPAC name of N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide (CID 140561007) is N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide.
What is the SMILES notation for N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide?
The canonical SMILES for N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide is CC(=O)NCNS(=O)(=O)c1cncs1.
What is the InChIKey of N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide?
The InChIKey is ICRJMZYSTPGDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S2/c1-5(10)8-3-9-14(11,12)6-2-7-4-13-6/h2,4,9H,3H2,1H3,(H,8,10).
What are the key properties of N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide?
N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide has a molecular weight of 235.29 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-thiazol-5-ylsulfonylamino)methyl]acetamide is sourced from PubChem (CID 140561007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).