4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide

C14H16FN3O2S — CID 135153668

IUPAC4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2snnc2C(C)F)cc1
InChIInChI=1S/C14H16FN3O2S/c1-9(15)12-13(21-17-16-12)14(19)18(2)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyUENDXAGBZPPOMU-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.85
Rot. Bonds5

About 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide

4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide (PubChem CID 135153668) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide
PubChem CID135153668
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2snnc2C(C)F)cc1
InChIInChI=1S/C14H16FN3O2S/c1-9(15)12-13(21-17-16-12)14(19)18(2)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyUENDXAGBZPPOMU-UHFFFAOYSA-N
XLogP2.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide (CID 135153668) is 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide is COc1ccc(CN(C)C(=O)c2snnc2C(C)F)cc1.
What is the InChIKey of 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The InChIKey is UENDXAGBZPPOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-9(15)12-13(21-17-16-12)14(19)18(2)8-10-4-6-11(20-3)7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide?
4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 135153668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).