4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile

C10H7N3O2S2 — CID 19835052

IUPAC4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(S(=O)(=O)c2ccccc2)nc1N
InChIInChI=1S/C10H7N3O2S2/c11-6-8-9(12)13-10(16-8)17(14,15)7-4-2-1-3-5-7/h1-5H,12H2
InChIKeyXFFHLMQFDOMSRL-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.43
Rot. Bonds2

About 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile

4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile (PubChem CID 19835052) has the molecular formula C10H7N3O2S2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile
PubChem CID19835052
Molecular FormulaC10H7N3O2S2
Molecular Weight265.32 g/mol
Exact Mass265.00
IUPAC Name4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(S(=O)(=O)c2ccccc2)nc1N
InChIInChI=1S/C10H7N3O2S2/c11-6-8-9(12)13-10(16-8)17(14,15)7-4-2-1-3-5-7/h1-5H,12H2
InChIKeyXFFHLMQFDOMSRL-UHFFFAOYSA-N
XLogP1.43
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile (CID 19835052) is 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile is N#Cc1sc(S(=O)(=O)c2ccccc2)nc1N.
What is the InChIKey of 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is XFFHLMQFDOMSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2S2/c11-6-8-9(12)13-10(16-8)17(14,15)7-4-2-1-3-5-7/h1-5H,12H2.
What are the key properties of 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile?
4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(benzenesulfonyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 19835052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).