N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine

C16H11FN4S — CID 51037841

IUPACN-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCc3ccc4scnc4c3)c2c1
InChIInChI=1S/C16H11FN4S/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-15-14(5-10)21-9-22-15/h1-6,8-9H,7H2,(H,18,19,20)
InChIKeyCPUSHYJOFDKXDJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.99
Rot. Bonds3

About N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine

N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine (PubChem CID 51037841) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine
PubChem CID51037841
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC NameN-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCc3ccc4scnc4c3)c2c1
InChIInChI=1S/C16H11FN4S/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-15-14(5-10)21-9-22-15/h1-6,8-9H,7H2,(H,18,19,20)
InChIKeyCPUSHYJOFDKXDJ-UHFFFAOYSA-N
XLogP3.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901321
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-fluoroquinazolin-4-amine
CID 78901330
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-fluoroquinazolin-4-amine
CID 133269866
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
6-fluoro-N-propan-2-ylquinazolin-4-amine
CID 71684168
3,4-diethyl-5-[[(6-fluoroquinazolin-4-yl)amino]methyl]-1H-pyridazin-6-one
CID 133443469

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine?
The IUPAC name of N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine (CID 51037841) is N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NCc3ccc4scnc4c3)c2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine?
The InChIKey is CPUSHYJOFDKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-15-14(5-10)21-9-22-15/h1-6,8-9H,7H2,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine?
N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine has a molecular weight of 310.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 51037841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).