2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C20H17FN4OS2 — CID 7151017

IUPAC2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nccn3Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C20H17FN4OS2/c1-13-2-7-16-17(10-13)28-19(23-16)24-18(26)12-27-20-22-8-9-25(20)11-14-3-5-15(21)6-4-14/h2-10H,11-12H2,1H3,(H,23,24,26)
InChIKeyACFANDFHBOVSNA-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.72
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7151017) has the molecular formula C20H17FN4OS2 and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID7151017
Molecular FormulaC20H17FN4OS2
Molecular Weight412.52 g/mol
Exact Mass412.08
IUPAC Name2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)CSc3nccn3Cc3ccc(F)cc3)sc2c1
InChIInChI=1S/C20H17FN4OS2/c1-13-2-7-16-17(10-13)28-19(23-16)24-18(26)12-27-20-22-8-9-25(20)11-14-3-5-15(21)6-4-14/h2-10H,11-12H2,1H3,(H,23,24,26)
InChIKeyACFANDFHBOVSNA-UHFFFAOYSA-N
XLogP4.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-{6-[2-(Methylsulfanyl)pyrimidin-4-Yl]-1,3-Benzothiazol-2-Yl}acetamide
CID 25183031
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
Metallo-|A-lactamase-IN-7
CID 162421325
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2898055
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 7151017) is 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)CSc3nccn3Cc3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ACFANDFHBOVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS2/c1-13-2-7-16-17(10-13)28-19(23-16)24-18(26)12-27-20-22-8-9-25(20)11-14-3-5-15(21)6-4-14/h2-10H,11-12H2,1H3,(H,23,24,26).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7151017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).