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

C18H13N5OS — CID 118736904

IUPAC4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C18H13N5OS/c19-17(24)11-1-4-13(5-2-11)23-18-14-7-12(16-8-20-10-25-16)3-6-15(14)21-9-22-18/h1-10H,(H2,19,24)(H,21,22,23)
InChIKeySBFSSKKJPPYCSR-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.60
Rot. Bonds4

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

4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide (PubChem CID 118736904) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide
PubChem CID118736904
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C18H13N5OS/c19-17(24)11-1-4-13(5-2-11)23-18-14-7-12(16-8-20-10-25-16)3-6-15(14)21-9-22-18/h1-10H,(H2,19,24)(H,21,22,23)
InChIKeySBFSSKKJPPYCSR-UHFFFAOYSA-N
XLogP3.60
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide?
The IUPAC name of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide (CID 118736904) is 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide?
The canonical SMILES for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide is NC(=O)c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1.
What is the InChIKey of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide?
The InChIKey is SBFSSKKJPPYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c19-17(24)11-1-4-13(5-2-11)23-18-14-7-12(16-8-20-10-25-16)3-6-15(14)21-9-22-18/h1-10H,(H2,19,24)(H,21,22,23).
What are the key properties of 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide?
4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide has a molecular weight of 347.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 118736904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).