N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide

C14H11N3O2S3 — CID 2234502

IUPACN-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1nccs1)c1ccccc1)c1cccs1
InChIInChI=1S/C14H11N3O2S3/c18-22(19,12-7-4-9-20-12)17-13(11-5-2-1-3-6-11)16-14-15-8-10-21-14/h1-10H,(H,15,16,17)
InChIKeyGWLQPSSYLVWOAM-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.45
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide

N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 2234502) has the molecular formula C14H11N3O2S3 and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID2234502
Molecular FormulaC14H11N3O2S3
Molecular Weight349.46 g/mol
Exact Mass349.00
IUPAC NameN-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1nccs1)c1ccccc1)c1cccs1
InChIInChI=1S/C14H11N3O2S3/c18-22(19,12-7-4-9-20-12)17-13(11-5-2-1-3-6-11)16-14-15-8-10-21-14/h1-10H,(H,15,16,17)
InChIKeyGWLQPSSYLVWOAM-UHFFFAOYSA-N
XLogP3.45
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 2234502) is N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is O=S(=O)(N=C(Nc1nccs1)c1ccccc1)c1cccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is GWLQPSSYLVWOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S3/c18-22(19,12-7-4-9-20-12)17-13(11-5-2-1-3-6-11)16-14-15-8-10-21-14/h1-10H,(H,15,16,17).
What are the key properties of N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 349.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 2234502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).