2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

C22H18FN3OS3 — CID 2570787

IUPAC2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CSc2nc(-c3ccc(F)cc3)cs2)cs1
InChIInChI=1S/C22H18FN3OS3/c1-14-4-2-3-5-18(14)25-20(27)10-21-24-17(11-28-21)12-29-22-26-19(13-30-22)15-6-8-16(23)9-7-15/h2-9,11,13H,10,12H2,1H3,(H,25,27)
InChIKeyVJNAMSUTXMKATA-UHFFFAOYSA-N
MW455.61 g/mol
LogP6.19
Rot. Bonds7

About 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 2570787) has the molecular formula C22H18FN3OS3 and a molecular weight of 455.61 g/mol. Its IUPAC name is 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID2570787
Molecular FormulaC22H18FN3OS3
Molecular Weight455.61 g/mol
Exact Mass455.06
IUPAC Name2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(CSc2nc(-c3ccc(F)cc3)cs2)cs1
InChIInChI=1S/C22H18FN3OS3/c1-14-4-2-3-5-18(14)25-20(27)10-21-24-17(11-28-21)12-29-22-26-19(13-30-22)15-6-8-16(23)9-7-15/h2-9,11,13H,10,12H2,1H3,(H,25,27)
InChIKeyVJNAMSUTXMKATA-UHFFFAOYSA-N
XLogP6.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)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

N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 2535547
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 51111758
2-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 112786112
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9420940
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46560838
2-[4-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 112785254
N-(5-chloro-2-methylphenyl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 5095676
2-[4-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 55328206
2-[4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 16509682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 2570787) is 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cc1nc(CSc2nc(-c3ccc(F)cc3)cs2)cs1.
What is the InChIKey of 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is VJNAMSUTXMKATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS3/c1-14-4-2-3-5-18(14)25-20(27)10-21-24-17(11-28-21)12-29-22-26-19(13-30-22)15-6-8-16(23)9-7-15/h2-9,11,13H,10,12H2,1H3,(H,25,27).
What are the key properties of 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 455.61 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2570787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).