N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C21H18FN5OS — CID 78900416

IUPACN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc(C)nc3ccccc23)n(-c2ccccc2F)n1
InChIInChI=1S/C21H18FN5OS/c1-13-11-19(27(26-13)18-10-6-4-8-16(18)22)25-20(28)12-29-21-15-7-3-5-9-17(15)23-14(2)24-21/h3-11H,12H2,1-2H3,(H,25,28)
InChIKeyKREFSFRUDRKYEB-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.30
Rot. Bonds5

About N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 78900416) has the molecular formula C21H18FN5OS and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID78900416
Molecular FormulaC21H18FN5OS
Molecular Weight407.47 g/mol
Exact Mass407.12
IUPAC NameN-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nc(C)nc3ccccc23)n(-c2ccccc2F)n1
InChIInChI=1S/C21H18FN5OS/c1-13-11-19(27(26-13)18-10-6-4-8-16(18)22)25-20(28)12-29-21-15-7-3-5-9-17(15)23-14(2)24-21/h3-11H,12H2,1-2H3,(H,25,28)
InChIKeyKREFSFRUDRKYEB-UHFFFAOYSA-N
XLogP4.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145540
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
2-fluoro-N'-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]benzohydrazide
CID 7134044
N-(2-chloro-4-fluorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145542
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-(4-fluorophenyl)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]acetamide
CID 7145882
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7398826
N-(2-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145487
N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133920

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 78900416) is N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1cc(NC(=O)CSc2nc(C)nc3ccccc23)n(-c2ccccc2F)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is KREFSFRUDRKYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5OS/c1-13-11-19(27(26-13)18-10-6-4-8-16(18)22)25-20(28)12-29-21-15-7-3-5-9-17(15)23-14(2)24-21/h3-11H,12H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 407.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 78900416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).