2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide

C16H19F2N5O2S — CID 25008628

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(N(C)C)s1
InChIInChI=1S/C16H19F2N5O2S/c1-4-12(14(25)20-15-21-22-16(26-15)23(2)3)19-13(24)7-9-5-10(17)8-11(18)6-9/h5-6,8,12H,4,7H2,1-3H3,(H,19,24)(H,20,21,25)
InChIKeyFJRYZSDQTXMUSQ-UHFFFAOYSA-N
MW383.42 g/mol
LogP1.96
Rot. Bonds7

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 25008628) has the molecular formula C16H19F2N5O2S and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID25008628
Molecular FormulaC16H19F2N5O2S
Molecular Weight383.42 g/mol
Exact Mass383.12
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(N(C)C)s1
InChIInChI=1S/C16H19F2N5O2S/c1-4-12(14(25)20-15-21-22-16(26-15)23(2)3)19-13(24)7-9-5-10(17)8-11(18)6-9/h5-6,8,12H,4,7H2,1-3H3,(H,19,24)(H,20,21,25)
InChIKeyFJRYZSDQTXMUSQ-UHFFFAOYSA-N
XLogP1.96
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 68832393
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 72649575
N-[5-[1-(butylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91290153
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanoylamino]-1,3-thiazole-5-carboxamide
CID 87904395
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-[4-(2-hydroxyethylamino)-2-methylbutan-2-yl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 25010391
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(ethylaminomethyl)-1,3-thiazol-2-yl]pentanamide
CID 91001589
N-[5-[[butyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91592777
N-[5-[1-(butylamino)ethyl]-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91275313
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methoxypropanoyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87479201
N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 10414577
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[4-methyl-5-[1-(2-methylpropylamino)ethyl]-1,3-thiazol-2-yl]pentanamide
CID 10367283
N-[5-[1-(butylamino)ethyl]-4-methyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
CID 91577520

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide (CID 25008628) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide is CCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(N(C)C)s1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is FJRYZSDQTXMUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O2S/c1-4-12(14(25)20-15-21-22-16(26-15)23(2)3)19-13(24)7-9-5-10(17)8-11(18)6-9/h5-6,8,12H,4,7H2,1-3H3,(H,19,24)(H,20,21,25).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 383.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 25008628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).