2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C20H19FN4O2S — CID 42770054

IUPAC2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(NC(=O)C(C)NC(=O)Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H19FN4O2S/c1-12-3-7-15(8-4-12)19-24-25-20(28-19)23-18(27)13(2)22-17(26)11-14-5-9-16(21)10-6-14/h3-10,13H,11H2,1-2H3,(H,22,26)(H,23,25,27)
InChIKeyBPXNZHZFYHILGE-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.34
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 42770054) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID42770054
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(NC(=O)C(C)NC(=O)Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H19FN4O2S/c1-12-3-7-15(8-4-12)19-24-25-20(28-19)23-18(27)13(2)22-17(26)11-14-5-9-16(21)10-6-14/h3-10,13H,11H2,1-2H3,(H,22,26)(H,23,25,27)
InChIKeyBPXNZHZFYHILGE-UHFFFAOYSA-N
XLogP3.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[(2S)-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]butanamide
CID 7495254
2-[(2-methoxyacetyl)amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 5165495
2-(dimethylcarbamoylamino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 4054312
3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]butanamide
CID 46121753
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[2-(4-fluorophenyl)acetyl]amino]-3-methylpentanamide
CID 3584275
(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
CID 7288486
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171
2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288
2-bromo-N-[1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 4635560

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 42770054) is 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(NC(=O)C(C)NC(=O)Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is BPXNZHZFYHILGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-12-3-7-15(8-4-12)19-24-25-20(28-19)23-18(27)13(2)22-17(26)11-14-5-9-16(21)10-6-14/h3-10,13H,11H2,1-2H3,(H,22,26)(H,23,25,27).
What are the key properties of 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 398.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)acetyl]amino]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 42770054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).