9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide

C16H9BrFN5OS — CID 71277772

IUPAC9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
SMILESNC(=O)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
InChIInChI=1S/C16H9BrFN5OS/c17-7-1-2-9(8(18)5-7)22-15-12-10(20-6-21-15)3-4-11-13(12)25-16(23-11)14(19)24/h1-6H,(H2,19,24)(H,20,21,22)
InChIKeyBCZQEXKZJLTOFI-UHFFFAOYSA-N
MW418.25 g/mol
LogP3.98
Rot. Bonds3

About 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide

9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide (PubChem CID 71277772) has the molecular formula C16H9BrFN5OS and a molecular weight of 418.25 g/mol. Its IUPAC name is 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide.

Molecular Properties

Compound Name9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
PubChem CID71277772
Molecular FormulaC16H9BrFN5OS
Molecular Weight418.25 g/mol
Exact Mass416.97
IUPAC Name9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
SMILESNC(=O)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
InChIInChI=1S/C16H9BrFN5OS/c17-7-1-2-9(8(18)5-7)22-15-12-10(20-6-21-15)3-4-11-13(12)25-16(23-11)14(19)24/h1-6H,(H2,19,24)(H,20,21,22)
InChIKeyBCZQEXKZJLTOFI-UHFFFAOYSA-N
XLogP3.98
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-bromo-2-fluoroanilino)-N'-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
CID 71529692
9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
CID 118352762
N'-benzyl-9-(2-fluoro-4-methylanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
CID 123642202
ethane;methyl 9-(4-ethoxy-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 176978595
N-(4-bromo-2-fluorophenyl)-6-nitroquinazolin-4-amine
CID 135066898
4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
CID 136619749
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
ethyl 9-(2-chloro-4-fluoro-5-methylanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate;ethyl 9-(2-chloro-4-methylanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 164948862
3-methylsulfonylpropyl 9-(2-chloro-4,5-difluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 167814081
9-(3-chloro-4-fluoroanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
CID 71529680
1-[3-[[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547511
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The IUPAC name of 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide (CID 71277772) is 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide.
What is the SMILES notation for 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The canonical SMILES for 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide is NC(=O)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1.
What is the InChIKey of 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The InChIKey is BCZQEXKZJLTOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFN5OS/c17-7-1-2-9(8(18)5-7)22-15-12-10(20-6-21-15)3-4-11-13(12)25-16(23-11)14(19)24/h1-6H,(H2,19,24)(H,20,21,22).
What are the key properties of 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide has a molecular weight of 418.25 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide is sourced from PubChem (CID 71277772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).