4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide

C17H13N5O2S2 — CID 118736901

IUPAC4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C17H13N5O2S2/c18-26(23,24)13-4-2-12(3-5-13)22-17-14-7-11(16-8-19-10-25-16)1-6-15(14)20-9-21-17/h1-10H,(H2,18,23,24)(H,20,21,22)
InChIKeyPHNISBVYCVYISH-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.14
Rot. Bonds4

About 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide

4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide (PubChem CID 118736901) has the molecular formula C17H13N5O2S2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide
PubChem CID118736901
Molecular FormulaC17H13N5O2S2
Molecular Weight383.46 g/mol
Exact Mass383.05
IUPAC Name4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C17H13N5O2S2/c18-26(23,24)13-4-2-12(3-5-13)22-17-14-7-11(16-8-19-10-25-16)1-6-15(14)20-9-21-17/h1-10H,(H2,18,23,24)(H,20,21,22)
InChIKeyPHNISBVYCVYISH-UHFFFAOYSA-N
XLogP3.14
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide (CID 118736901) is 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1.
What is the InChIKey of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide?
The InChIKey is PHNISBVYCVYISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S2/c18-26(23,24)13-4-2-12(3-5-13)22-17-14-7-11(16-8-19-10-25-16)1-6-15(14)20-9-21-17/h1-10H,(H2,18,23,24)(H,20,21,22).
What are the key properties of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide?
4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide has a molecular weight of 383.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 118736901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).