2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole

C16H16FN3OS — CID 70252260

IUPAC2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(C)nc(-c3nc(C(C)C)cs3)nc2c1F
InChIInChI=1S/C16H16FN3OS/c1-8(2)11-7-22-16(19-11)15-18-9(3)10-5-6-12(21-4)13(17)14(10)20-15/h5-8H,1-4H3
InChIKeyNJVUUJVBUSSAQA-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.33
Rot. Bonds3

About 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 70252260) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID70252260
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC Name2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2c(C)nc(-c3nc(C(C)C)cs3)nc2c1F
InChIInChI=1S/C16H16FN3OS/c1-8(2)11-7-22-16(19-11)15-18-9(3)10-5-6-12(21-4)13(17)14(10)20-15/h5-8H,1-4H3
InChIKeyNJVUUJVBUSSAQA-UHFFFAOYSA-N
XLogP4.33
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 70252260) is 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole is COc1ccc2c(C)nc(-c3nc(C(C)C)cs3)nc2c1F.
What is the InChIKey of 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is NJVUUJVBUSSAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c1-8(2)11-7-22-16(19-11)15-18-9(3)10-5-6-12(21-4)13(17)14(10)20-15/h5-8H,1-4H3.
What are the key properties of 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 317.39 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-7-methoxy-4-methylquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 70252260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).