N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide

C18H15N5O2S2 — CID 118736902

IUPACN-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C18H15N5O2S2/c1-27(24,25)23-14-5-3-13(4-6-14)22-18-15-8-12(17-9-19-11-26-17)2-7-16(15)20-10-21-18/h2-11,23H,1H3,(H,20,21,22)
InChIKeyKYBPXBQXLVGFOP-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.87
Rot. Bonds5

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

N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide (PubChem CID 118736902) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide
PubChem CID118736902
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC NameN-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C18H15N5O2S2/c1-27(24,25)23-14-5-3-13(4-6-14)22-18-15-8-12(17-9-19-11-26-17)2-7-16(15)20-10-21-18/h2-11,23H,1H3,(H,20,21,22)
InChIKeyKYBPXBQXLVGFOP-UHFFFAOYSA-N
XLogP3.87
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide with MolForge

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Related Compounds

Timegadine
CID 68902
6-Thiazolylquinazoline 3
CID 5329477
6-Thiazolylquinazoline 1
CID 5329475
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine
CID 155903114
5-methyl-N-(2-phenylquinazolin-4-yl)thiazol-2-amine
CID 10236668
2-(4-methylthiazol-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10358578
N-isopropyl-6-(thiazol-5-yl)quinazolin-4-amine
CID 118736868
N-tert-butyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736869
2-[[6-(5-Thiazolyl)-4-quinazolinyl]amino]ethanol
CID 118736870
N-(2-methoxyethyl)-6-(5-thiazolyl)-4-quinazolinamine
CID 118736871
N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-amine
CID 118736874

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide (CID 118736902) is N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1.
What is the InChIKey of N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide?
The InChIKey is KYBPXBQXLVGFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-27(24,25)23-14-5-3-13(4-6-14)22-18-15-8-12(17-9-19-11-26-17)2-7-16(15)20-10-21-18/h2-11,23H,1H3,(H,20,21,22).
What are the key properties of N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide?
N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide has a molecular weight of 397.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 118736902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).