phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid

C15H14N2O3S3 — CID 175911363

IUPACphenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid
SMILESO=S(=O)(O)N(CCc1nc(-c2cccs2)cs1)c1ccccc1
InChIInChI=1S/C15H14N2O3S3/c18-23(19,20)17(12-5-2-1-3-6-12)9-8-15-16-13(11-22-15)14-7-4-10-21-14/h1-7,10-11H,8-9H2,(H,18,19,20)
InChIKeyUHQJCURKVDZAOE-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.72
Rot. Bonds6

About phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid

phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid (PubChem CID 175911363) has the molecular formula C15H14N2O3S3 and a molecular weight of 366.49 g/mol. Its IUPAC name is phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid.

Molecular Properties

Compound Namephenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid
PubChem CID175911363
Molecular FormulaC15H14N2O3S3
Molecular Weight366.49 g/mol
Exact Mass366.02
IUPAC Namephenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid
SMILESO=S(=O)(O)N(CCc1nc(-c2cccs2)cs1)c1ccccc1
InChIInChI=1S/C15H14N2O3S3/c18-23(19,20)17(12-5-2-1-3-6-12)9-8-15-16-13(11-22-15)14-7-4-10-21-14/h1-7,10-11H,8-9H2,(H,18,19,20)
InChIKeyUHQJCURKVDZAOE-UHFFFAOYSA-N
XLogP3.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]amino]propanoic acid
CID 82103529
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968907
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983529
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463840
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 116969594
3-methyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116968699
4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983584
2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 82117281
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103012

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid?
The IUPAC name of phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid (CID 175911363) is phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid.
What is the SMILES notation for phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid?
The canonical SMILES for phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid is O=S(=O)(O)N(CCc1nc(-c2cccs2)cs1)c1ccccc1.
What is the InChIKey of phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid?
The InChIKey is UHQJCURKVDZAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S3/c18-23(19,20)17(12-5-2-1-3-6-12)9-8-15-16-13(11-22-15)14-7-4-10-21-14/h1-7,10-11H,8-9H2,(H,18,19,20).
What are the key properties of phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid?
phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid has a molecular weight of 366.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]sulfamic acid is sourced from PubChem (CID 175911363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).