N-diazo-1,3-thiazole-2-sulfonamide

C3H2N4O2S2 — CID 39846529

IUPACN-diazo-1,3-thiazole-2-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1nccs1
InChIInChI=1S/C3H2N4O2S2/c4-6-7-11(8,9)3-5-1-2-10-3/h1-2H
InChIKeyRMNBGQUABAFVDX-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.14
Rot. Bonds2

About N-diazo-1,3-thiazole-2-sulfonamide

N-diazo-1,3-thiazole-2-sulfonamide (PubChem CID 39846529) has the molecular formula C3H2N4O2S2 and a molecular weight of 190.21 g/mol. Its IUPAC name is N-diazo-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-diazo-1,3-thiazole-2-sulfonamide
PubChem CID39846529
Molecular FormulaC3H2N4O2S2
Molecular Weight190.21 g/mol
Exact Mass189.96
IUPAC NameN-diazo-1,3-thiazole-2-sulfonamide
SMILES[N-]=[N+]=NS(=O)(=O)c1nccs1
InChIInChI=1S/C3H2N4O2S2/c4-6-7-11(8,9)3-5-1-2-10-3/h1-2H
InChIKeyRMNBGQUABAFVDX-UHFFFAOYSA-N
XLogP1.14
TPSA95.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,3-thiazole-2-sulfonyl chloride;hydrochloride
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3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol
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2-bromothiophene;sulfuryl diazide
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pyridine-2-sulfonyl chloride;1,3-thiazole-2-sulfonyl chloride
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2-[[(3S)-piperidin-3-yl]methylsulfonyl]-1,3-thiazole
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2-(3-azidopropylsulfanyl)-1,3-thiazole
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4-[(2S)-2-methyl-4-(1,3-thiazol-2-ylsulfonyl)piperazin-1-yl]phenol
CID 66586145
2-(benzotriazol-1-ylsulfonyl)-1,3-thiazole
CID 26794696
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-2-sulfonamide
CID 22998450

Frequently Asked Questions

What is the IUPAC name of N-diazo-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-diazo-1,3-thiazole-2-sulfonamide (CID 39846529) is N-diazo-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-diazo-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-diazo-1,3-thiazole-2-sulfonamide is [N-]=[N+]=NS(=O)(=O)c1nccs1.
What is the InChIKey of N-diazo-1,3-thiazole-2-sulfonamide?
The InChIKey is RMNBGQUABAFVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4O2S2/c4-6-7-11(8,9)3-5-1-2-10-3/h1-2H.
What are the key properties of N-diazo-1,3-thiazole-2-sulfonamide?
N-diazo-1,3-thiazole-2-sulfonamide has a molecular weight of 190.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 39846529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).