N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide

C14H15F2N3OS2 — CID 24648203

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(SC(F)F)cc2)s1
InChIInChI=1S/C14H15F2N3OS2/c1-2-3-4-11-18-19-14(22-11)17-12(20)9-5-7-10(8-6-9)21-13(15)16/h5-8,13H,2-4H2,1H3,(H,17,19,20)
InChIKeyZSACMWWMWFTRLQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.45
Rot. Bonds7

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide (PubChem CID 24648203) has the molecular formula C14H15F2N3OS2 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
PubChem CID24648203
Molecular FormulaC14H15F2N3OS2
Molecular Weight343.42 g/mol
Exact Mass343.06
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(SC(F)F)cc2)s1
InChIInChI=1S/C14H15F2N3OS2/c1-2-3-4-11-18-19-14(22-11)17-12(20)9-5-7-10(8-6-9)21-13(15)16/h5-8,13H,2-4H2,1H3,(H,17,19,20)
InChIKeyZSACMWWMWFTRLQ-UHFFFAOYSA-N
XLogP4.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839573
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24648084
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 31038872
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide (CID 24648203) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide is CCCCc1nnc(NC(=O)c2ccc(SC(F)F)cc2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is ZSACMWWMWFTRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3OS2/c1-2-3-4-11-18-19-14(22-11)17-12(20)9-5-7-10(8-6-9)21-13(15)16/h5-8,13H,2-4H2,1H3,(H,17,19,20).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 343.42 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 24648203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).