5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine

C23H20FN7OS — CID 134362068

IUPAC5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc2c(-c3nnc(N)s3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C23H20FN7OS/c1-13-27-21-17(22-28-29-23(25)33-22)11-15(30-6-8-32-9-7-30)12-20(21)31(13)19-4-5-26-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H2,25,29)
InChIKeyFKWVSYONSRNDKH-UHFFFAOYSA-N
MW461.53 g/mol
LogP3.96
Rot. Bonds3

About 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine

5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 134362068) has the molecular formula C23H20FN7OS and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID134362068
Molecular FormulaC23H20FN7OS
Molecular Weight461.53 g/mol
Exact Mass461.14
IUPAC Name5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc2c(-c3nnc(N)s3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12
InChIInChI=1S/C23H20FN7OS/c1-13-27-21-17(22-28-29-23(25)33-22)11-15(30-6-8-32-9-7-30)12-20(21)31(13)19-4-5-26-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H2,25,29)
InChIKeyFKWVSYONSRNDKH-UHFFFAOYSA-N
XLogP3.96
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine (CID 134362068) is 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine is Cc1nc2c(-c3nnc(N)s3)cc(N3CCOCC3)cc2n1-c1ccnc2cc(F)ccc12.
What is the InChIKey of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FKWVSYONSRNDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7OS/c1-13-27-21-17(22-28-29-23(25)33-22)11-15(30-6-8-32-9-7-30)12-20(21)31(13)19-4-5-26-18-10-14(24)2-3-16(18)19/h2-5,10-12H,6-9H2,1H3,(H2,25,29).
What are the key properties of 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine?
5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 461.53 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(7-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 134362068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).