2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole

C15H12N2O2S2 — CID 57115765

IUPAC2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole
SMILESO=S(O)Nc1ccc(-c2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H12N2O2S2/c18-21(19)17-13-8-6-11(7-9-13)14-10-16-15(20-14)12-4-2-1-3-5-12/h1-10,17H,(H,18,19)
InChIKeyGEOSMSBJMHUFAA-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.03
Rot. Bonds4

About 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole

2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole (PubChem CID 57115765) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole
PubChem CID57115765
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole
SMILESO=S(O)Nc1ccc(-c2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H12N2O2S2/c18-21(19)17-13-8-6-11(7-9-13)14-10-16-15(20-14)12-4-2-1-3-5-12/h1-10,17H,(H,18,19)
InChIKeyGEOSMSBJMHUFAA-UHFFFAOYSA-N
XLogP4.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole (CID 57115765) is 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole is O=S(O)Nc1ccc(-c2cnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole?
The InChIKey is GEOSMSBJMHUFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c18-21(19)17-13-8-6-11(7-9-13)14-10-16-15(20-14)12-4-2-1-3-5-12/h1-10,17H,(H,18,19).
What are the key properties of 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole?
2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole has a molecular weight of 316.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole is sourced from PubChem (CID 57115765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).