N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine

C18H13FN4S — CID 59452184

IUPACN-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCc1cc2nc(Nc3cccc(F)c3)ncc2cc1-c1nccs1
InChIInChI=1S/C18H13FN4S/c1-11-7-16-12(8-15(11)17-20-5-6-24-17)10-21-18(23-16)22-14-4-2-3-13(19)9-14/h2-10H,1H3,(H,21,22,23)
InChIKeyFTGACLLDAYJYDL-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.94
Rot. Bonds3

About N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine

N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine (PubChem CID 59452184) has the molecular formula C18H13FN4S and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine
PubChem CID59452184
Molecular FormulaC18H13FN4S
Molecular Weight336.40 g/mol
Exact Mass336.08
IUPAC NameN-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine
SMILESCc1cc2nc(Nc3cccc(F)c3)ncc2cc1-c1nccs1
InChIInChI=1S/C18H13FN4S/c1-11-7-16-12(8-15(11)17-20-5-6-24-17)10-21-18(23-16)22-14-4-2-3-13(19)9-14/h2-10H,1H3,(H,21,22,23)
InChIKeyFTGACLLDAYJYDL-UHFFFAOYSA-N
XLogP4.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine (CID 59452184) is N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine is Cc1cc2nc(Nc3cccc(F)c3)ncc2cc1-c1nccs1.
What is the InChIKey of N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
The InChIKey is FTGACLLDAYJYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S/c1-11-7-16-12(8-15(11)17-20-5-6-24-17)10-21-18(23-16)22-14-4-2-3-13(19)9-14/h2-10H,1H3,(H,21,22,23).
What are the key properties of N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine?
N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-methyl-6-(1,3-thiazol-2-yl)quinazolin-2-amine is sourced from PubChem (CID 59452184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).