2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C20H16FN3OS2 — CID 5055902

IUPAC2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1nccs1
InChIInChI=1S/C20H16FN3OS2/c21-15-5-3-4-14(10-15)11-24-12-18(16-6-1-2-7-17(16)24)27-13-19(25)23-20-22-8-9-26-20/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyJVRVYQONSJNOAS-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.02
Rot. Bonds6

About 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 5055902) has the molecular formula C20H16FN3OS2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID5055902
Molecular FormulaC20H16FN3OS2
Molecular Weight397.50 g/mol
Exact Mass397.07
IUPAC Name2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1nccs1
InChIInChI=1S/C20H16FN3OS2/c21-15-5-3-4-14(10-15)11-24-12-18(16-6-1-2-7-17(16)24)27-13-19(25)23-20-22-8-9-26-20/h1-10,12H,11,13H2,(H,22,23,25)
InChIKeyJVRVYQONSJNOAS-UHFFFAOYSA-N
XLogP5.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
2,6-difluoro-N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3428595
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4141723
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
CID 5077989
N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide
CID 5002268
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 23794200
2-(1-benzylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 847800
2-[(4S)-1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91638917
2-[1-[(3-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 91822758
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 5055902) is 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1nccs1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JVRVYQONSJNOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS2/c21-15-5-3-4-14(10-15)11-24-12-18(16-6-1-2-7-17(16)24)27-13-19(25)23-20-22-8-9-26-20/h1-10,12H,11,13H2,(H,22,23,25).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5055902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).