N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C16H21FN4OS2 — CID 24569030

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nnc(SCC(=O)N(C)C(C)c2ccc(F)cc2)s1
InChIInChI=1S/C16H21FN4OS2/c1-10(2)18-15-19-20-16(24-15)23-9-14(22)21(4)11(3)12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyYBVJSPZBFDENFH-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.81
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 24569030) has the molecular formula C16H21FN4OS2 and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID24569030
Molecular FormulaC16H21FN4OS2
Molecular Weight368.50 g/mol
Exact Mass368.11
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCC(C)Nc1nnc(SCC(=O)N(C)C(C)c2ccc(F)cc2)s1
InChIInChI=1S/C16H21FN4OS2/c1-10(2)18-15-19-20-16(24-15)23-9-14(22)21(4)11(3)12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19)
InChIKeyYBVJSPZBFDENFH-UHFFFAOYSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516262
1-(4-fluorophenyl)-4-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one
CID 2501781
N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 95225860
(2S)-1-(4-fluorophenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 41279333
N-propan-2-yl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516187
N-[4-(dimethylamino)phenyl]-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516284
N-benzyl-N-tert-butyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501628
2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
N-ethyl-N-(2-methylprop-2-enyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516203
N-(4-acetamidophenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16516322
N,N-dimethyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8911338
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 24569030) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CC(C)Nc1nnc(SCC(=O)N(C)C(C)c2ccc(F)cc2)s1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YBVJSPZBFDENFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4OS2/c1-10(2)18-15-19-20-16(24-15)23-9-14(22)21(4)11(3)12-5-7-13(17)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 24569030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).