3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide

C16H13F2N3OS2 — CID 143671057

IUPAC3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nncs1)C(c1cccc(F)c1)c1ccc(F)s1
InChIInChI=1S/C16H13F2N3OS2/c1-9(15(22)20-16-21-19-8-23-16)14(12-5-6-13(18)24-12)10-3-2-4-11(17)7-10/h2-9,14H,1H3,(H,20,21,22)
InChIKeyRSJNAQLVPXRKMX-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.28
Rot. Bonds5

About 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide

3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 143671057) has the molecular formula C16H13F2N3OS2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID143671057
Molecular FormulaC16H13F2N3OS2
Molecular Weight365.43 g/mol
Exact Mass365.05
IUPAC Name3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nncs1)C(c1cccc(F)c1)c1ccc(F)s1
InChIInChI=1S/C16H13F2N3OS2/c1-9(15(22)20-16-21-19-8-23-16)14(12-5-6-13(18)24-12)10-3-2-4-11(17)7-10/h2-9,14H,1H3,(H,20,21,22)
InChIKeyRSJNAQLVPXRKMX-UHFFFAOYSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 143671057) is 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C(=O)Nc1nncs1)C(c1cccc(F)c1)c1ccc(F)s1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is RSJNAQLVPXRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3OS2/c1-9(15(22)20-16-21-19-8-23-16)14(12-5-6-13(18)24-12)10-3-2-4-11(17)7-10/h2-9,14H,1H3,(H,20,21,22).
What are the key properties of 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-(5-fluorothiophen-2-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 143671057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).