8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine

C15H15FN4OS — CID 70252568

IUPAC8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine
SMILESCOc1ccc2c(N)nc(-c3nc(C(C)C)cs3)nc2c1F
InChIInChI=1S/C15H15FN4OS/c1-7(2)9-6-22-15(18-9)14-19-12-8(13(17)20-14)4-5-10(21-3)11(12)16/h4-7H,1-3H3,(H2,17,19,20)
InChIKeyGCZAYIZJBUNMDX-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.61
Rot. Bonds3

About 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine

8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine (PubChem CID 70252568) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine
PubChem CID70252568
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine
SMILESCOc1ccc2c(N)nc(-c3nc(C(C)C)cs3)nc2c1F
InChIInChI=1S/C15H15FN4OS/c1-7(2)9-6-22-15(18-9)14-19-12-8(13(17)20-14)4-5-10(21-3)11(12)16/h4-7H,1-3H3,(H2,17,19,20)
InChIKeyGCZAYIZJBUNMDX-UHFFFAOYSA-N
XLogP3.61
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine?
The IUPAC name of 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine (CID 70252568) is 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine is COc1ccc2c(N)nc(-c3nc(C(C)C)cs3)nc2c1F.
What is the InChIKey of 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine?
The InChIKey is GCZAYIZJBUNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-7(2)9-6-22-15(18-9)14-19-12-8(13(17)20-14)4-5-10(21-3)11(12)16/h4-7H,1-3H3,(H2,17,19,20).
What are the key properties of 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine?
8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine has a molecular weight of 318.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 70252568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).