N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide

C21H19ClFN5OS — CID 53195784

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide
SMILESCc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccc(F)c(Cl)c3)sc12
InChIInChI=1S/C21H19ClFN5OS/c1-13-19-20(28(26-13)15-6-4-3-5-7-15)25-21(30-19)27(2)12-18(29)24-11-14-8-9-17(23)16(22)10-14/h3-10H,11-12H2,1-2H3,(H,24,29)
InChIKeyZFEWIIGFFPBTRD-UHFFFAOYSA-N
MW443.94 g/mol
LogP4.34
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide (PubChem CID 53195784) has the molecular formula C21H19ClFN5OS and a molecular weight of 443.94 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide
PubChem CID53195784
Molecular FormulaC21H19ClFN5OS
Molecular Weight443.94 g/mol
Exact Mass443.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide
SMILESCc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccc(F)c(Cl)c3)sc12
InChIInChI=1S/C21H19ClFN5OS/c1-13-19-20(28(26-13)15-6-4-3-5-7-15)25-21(30-19)27(2)12-18(29)24-11-14-8-9-17(23)16(22)10-14/h3-10H,11-12H2,1-2H3,(H,24,29)
InChIKeyZFEWIIGFFPBTRD-UHFFFAOYSA-N
XLogP4.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]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-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide (CID 53195784) is N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide is Cc1nn(-c2ccccc2)c2nc(N(C)CC(=O)NCc3ccc(F)c(Cl)c3)sc12.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide?
The InChIKey is ZFEWIIGFFPBTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5OS/c1-13-19-20(28(26-13)15-6-4-3-5-7-15)25-21(30-19)27(2)12-18(29)24-11-14-8-9-17(23)16(22)10-14/h3-10H,11-12H2,1-2H3,(H,24,29).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide has a molecular weight of 443.94 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide is sourced from PubChem (CID 53195784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).