N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide

C13H14FN3OS2 — CID 23970279

IUPACN-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nnc(C)s1)C(=O)Nc1ccccc1F
InChIInChI=1S/C13H14FN3OS2/c1-3-11(20-13-17-16-8(2)19-13)12(18)15-10-7-5-4-6-9(10)14/h4-7,11H,3H2,1-2H3,(H,15,18)
InChIKeyZJDQICHDMQEIRE-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.50
Rot. Bonds5

About N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide

N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide (PubChem CID 23970279) has the molecular formula C13H14FN3OS2 and a molecular weight of 311.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
PubChem CID23970279
Molecular FormulaC13H14FN3OS2
Molecular Weight311.41 g/mol
Exact Mass311.06
IUPAC NameN-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
SMILESCCC(Sc1nnc(C)s1)C(=O)Nc1ccccc1F
InChIInChI=1S/C13H14FN3OS2/c1-3-11(20-13-17-16-8(2)19-13)12(18)15-10-7-5-4-6-9(10)14/h4-7,11H,3H2,1-2H3,(H,15,18)
InChIKeyZJDQICHDMQEIRE-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 834126
N-(4-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 23970277
2-(4-chlorophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 43916012
3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoylamino]benzoic acid
CID 23886298
N-(4-methyl-2-pyridinyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide
CID 23942363
N-(2-fluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylbutanamide
CID 23801417
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 2952251
(2R)-N-(2-fluorophenyl)-2-quinolin-2-ylsulfanylbutanamide
CID 27260653
2-(3-aminophenyl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 18894352
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 4819393
(2S)-N-(2,4-difluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890306
2-[(12-ethyl-4-methyl-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
CID 22552417

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide (CID 23970279) is N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide is CCC(Sc1nnc(C)s1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
The InChIKey is ZJDQICHDMQEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS2/c1-3-11(20-13-17-16-8(2)19-13)12(18)15-10-7-5-4-6-9(10)14/h4-7,11H,3H2,1-2H3,(H,15,18).
What are the key properties of N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide?
N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide has a molecular weight of 311.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 23970279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).