N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide

C23H16ClFN6OS — CID 122522543

IUPACN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
InChIInChI=1S/C23H16ClFN6OS/c24-21-17-12-26-29-18(17)8-9-19(21)28-23-31-30-22(33-23)14-2-1-3-16(11-14)27-20(32)10-13-4-6-15(25)7-5-13/h1-9,11-12H,10H2,(H,26,29)(H,27,32)(H,28,31)
InChIKeyNEXTVCAJGJUEDS-UHFFFAOYSA-N
MW478.94 g/mol
LogP5.80
Rot. Bonds6

About N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 122522543) has the molecular formula C23H16ClFN6OS and a molecular weight of 478.94 g/mol. Its IUPAC name is N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID122522543
Molecular FormulaC23H16ClFN6OS
Molecular Weight478.94 g/mol
Exact Mass478.08
IUPAC NameN-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
InChIInChI=1S/C23H16ClFN6OS/c24-21-17-12-26-29-18(17)8-9-19(21)28-23-31-30-22(33-23)14-2-1-3-16(11-14)27-20(32)10-13-4-6-15(25)7-5-13/h1-9,11-12H,10H2,(H,26,29)(H,27,32)(H,28,31)
InChIKeyNEXTVCAJGJUEDS-UHFFFAOYSA-N
XLogP5.80
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.94
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 122522543) is N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1.
What is the InChIKey of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is NEXTVCAJGJUEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6OS/c24-21-17-12-26-29-18(17)8-9-19(21)28-23-31-30-22(33-23)14-2-1-3-16(11-14)27-20(32)10-13-4-6-15(25)7-5-13/h1-9,11-12H,10H2,(H,26,29)(H,27,32)(H,28,31).
What are the key properties of N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 478.94 g/mol, XLogP of 5.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 122522543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).