N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide

C17H14ClFN4OS — CID 52906290

IUPACN-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1cccc(Nc2nnc(CC(=O)Nc3cc(F)ccc3Cl)s2)c1
InChIInChI=1S/C17H14ClFN4OS/c1-10-3-2-4-12(7-10)20-17-23-22-16(25-17)9-15(24)21-14-8-11(19)5-6-13(14)18/h2-8H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeySXSUMZVYLNSMOI-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.56
Rot. Bonds5

About N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide

N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 52906290) has the molecular formula C17H14ClFN4OS and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID52906290
Molecular FormulaC17H14ClFN4OS
Molecular Weight376.84 g/mol
Exact Mass376.06
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1cccc(Nc2nnc(CC(=O)Nc3cc(F)ccc3Cl)s2)c1
InChIInChI=1S/C17H14ClFN4OS/c1-10-3-2-4-12(7-10)20-17-23-22-16(25-17)9-15(24)21-14-8-11(19)5-6-13(14)18/h2-8H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeySXSUMZVYLNSMOI-UHFFFAOYSA-N
XLogP4.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide 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

2-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1335326
N-(2-chloro-3-pyridinyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4851382
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
CID 113031460
N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201917
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 38916745
2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7731437
N-(3,4-difluorophenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4851637
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
CID 30942110
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24571829

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide (CID 52906290) is N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide is Cc1cccc(Nc2nnc(CC(=O)Nc3cc(F)ccc3Cl)s2)c1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is SXSUMZVYLNSMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4OS/c1-10-3-2-4-12(7-10)20-17-23-22-16(25-17)9-15(24)21-14-8-11(19)5-6-13(14)18/h2-8H,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide?
N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 376.84 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 52906290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).