N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

C16H9ClFN5S — CID 171115294

IUPACN-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3nc(Cl)nc4ccccc34)s2)cc1
InChIInChI=1S/C16H9ClFN5S/c17-15-19-12-4-2-1-3-11(12)13(20-15)21-16-23-22-14(24-16)9-5-7-10(18)8-6-9/h1-8H,(H,19,20,21,23)
InChIKeyBWKNCLJQEKIDDW-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.68
Rot. Bonds3

About N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 171115294) has the molecular formula C16H9ClFN5S and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID171115294
Molecular FormulaC16H9ClFN5S
Molecular Weight357.80 g/mol
Exact Mass357.03
IUPAC NameN-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(-c2nnc(Nc3nc(Cl)nc4ccccc34)s2)cc1
InChIInChI=1S/C16H9ClFN5S/c17-15-19-12-4-2-1-3-11(12)13(20-15)21-16-23-22-14(24-16)9-5-7-10(18)8-6-9/h1-8H,(H,19,20,21,23)
InChIKeyBWKNCLJQEKIDDW-UHFFFAOYSA-N
XLogP4.68
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 171115294) is N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is Fc1ccc(-c2nnc(Nc3nc(Cl)nc4ccccc34)s2)cc1.
What is the InChIKey of N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BWKNCLJQEKIDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN5S/c17-15-19-12-4-2-1-3-11(12)13(20-15)21-16-23-22-14(24-16)9-5-7-10(18)8-6-9/h1-8H,(H,19,20,21,23).
What are the key properties of N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 357.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroquinazolin-4-yl)-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171115294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).