3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C20H17FN4OS — CID 17458105

IUPAC3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)s1
InChIInChI=1S/C20H17FN4OS/c1-12-24-25-20(27-12)23-18(26)10-8-15-16-11-14(21)7-9-17(16)22-19(15)13-5-3-2-4-6-13/h2-7,9,11,22H,8,10H2,1H3,(H,23,25,26)
InChIKeyZKPOUMQXQKKAPJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.71
Rot. Bonds5

About 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 17458105) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID17458105
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)s1
InChIInChI=1S/C20H17FN4OS/c1-12-24-25-20(27-12)23-18(26)10-8-15-16-11-14(21)7-9-17(16)22-19(15)13-5-3-2-4-6-13/h2-7,9,11,22H,8,10H2,1H3,(H,23,25,26)
InChIKeyZKPOUMQXQKKAPJ-UHFFFAOYSA-N
XLogP4.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 17458105) is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)s1.
What is the InChIKey of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is ZKPOUMQXQKKAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-12-24-25-20(27-12)23-18(26)10-8-15-16-11-14(21)7-9-17(16)22-19(15)13-5-3-2-4-6-13/h2-7,9,11,22H,8,10H2,1H3,(H,23,25,26).
What are the key properties of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 380.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 17458105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).