N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H17FN4O3S2 — CID 2370034

IUPACN-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1
InChIInChI=1S/C18H17FN4O3S2/c1-25-11-7-8-15(26-2)14(9-11)20-16(24)10-27-18-23-22-17(28-18)21-13-6-4-3-5-12(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyOGXJYEUCCZZKFR-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.17
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2370034) has the molecular formula C18H17FN4O3S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID2370034
Molecular FormulaC18H17FN4O3S2
Molecular Weight420.49 g/mol
Exact Mass420.07
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1
InChIInChI=1S/C18H17FN4O3S2/c1-25-11-7-8-15(26-2)14(9-11)20-16(24)10-27-18-23-22-17(28-18)21-13-6-4-3-5-12(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyOGXJYEUCCZZKFR-UHFFFAOYSA-N
XLogP4.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 2370034) is N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COc1ccc(OC)c(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OGXJYEUCCZZKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S2/c1-25-11-7-8-15(26-2)14(9-11)20-16(24)10-27-18-23-22-17(28-18)21-13-6-4-3-5-12(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2370034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).