4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide

C14H16FN3O2S — CID 135153667

IUPAC4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2snnc2CCF)cc1
InChIInChI=1S/C14H16FN3O2S/c1-18(9-10-3-5-11(20-2)6-4-10)14(19)13-12(7-8-15)16-17-21-13/h3-6H,7-9H2,1-2H3
InChIKeyUBZLMUIYJJGOKC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.33
Rot. Bonds6

About 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide

4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide (PubChem CID 135153667) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide
PubChem CID135153667
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2snnc2CCF)cc1
InChIInChI=1S/C14H16FN3O2S/c1-18(9-10-3-5-11(20-2)6-4-10)14(19)13-12(7-8-15)16-17-21-13/h3-6H,7-9H2,1-2H3
InChIKeyUBZLMUIYJJGOKC-UHFFFAOYSA-N
XLogP2.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The IUPAC name of 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide (CID 135153667) is 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide is COc1ccc(CN(C)C(=O)c2snnc2CCF)cc1.
What is the InChIKey of 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide?
The InChIKey is UBZLMUIYJJGOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-18(9-10-3-5-11(20-2)6-4-10)14(19)13-12(7-8-15)16-17-21-13/h3-6H,7-9H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide?
4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 135153667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).