N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C18H12ClFN4S — CID 118736876

IUPACN-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12
InChIInChI=1S/C18H12ClFN4S/c1-10-4-11(16-7-21-9-25-16)5-13-17(10)22-8-23-18(13)24-12-2-3-15(20)14(19)6-12/h2-9H,1H3,(H,22,23,24)
InChIKeyBIFSNDSAGPUPAP-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.60
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736876) has the molecular formula C18H12ClFN4S and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736876
Molecular FormulaC18H12ClFN4S
Molecular Weight370.84 g/mol
Exact Mass370.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12
InChIInChI=1S/C18H12ClFN4S/c1-10-4-11(16-7-21-9-25-16)5-13-17(10)22-8-23-18(13)24-12-2-3-15(20)14(19)6-12/h2-9H,1H3,(H,22,23,24)
InChIKeyBIFSNDSAGPUPAP-UHFFFAOYSA-N
XLogP5.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736876) is N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is Cc1cc(-c2cncs2)cc2c(Nc3ccc(F)c(Cl)c3)ncnc12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is BIFSNDSAGPUPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4S/c1-10-4-11(16-7-21-9-25-16)5-13-17(10)22-8-23-18(13)24-12-2-3-15(20)14(19)6-12/h2-9H,1H3,(H,22,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 370.84 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-8-methyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).