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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Related Compounds

Tak-715
CID 9952773
6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide
CID 91886057
2-Quinolinecarboxamide, N-2-thiazolyl-
CID 2576269
2,6-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2574433
N-(5-Cyclobutyl-thiazol-2-yl)-2-quinolin-6-yl-acetamide
CID 9967013
N-[4-(2-Propyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-benzamide
CID 10179981
4-(pyrimidin-4-ylamino)-N-(4-(6-(trifluoromethyl)pyridin-2-yl)thiazol-2-yl)benzamide
CID 11503128
N-(4-(3-bromophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11518094
N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11518228
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11531618
4-(6-(dimethylamino)pyrimidin-4-ylamino)-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)benzamide
CID 11569630
N-(4-(4-chloro-2-fluorophenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11582671

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).