N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide

C13H11FN6O2S — CID 156585106

IUPACN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1nc(C(=O)Nc2nnc(-c3ccccc3F)s2)nn1C
InChIInChI=1S/C13H11FN6O2S/c1-20-13(22-2)15-9(19-20)10(21)16-12-18-17-11(23-12)7-5-3-4-6-8(7)14/h3-6H,1-2H3,(H,16,18,21)
InChIKeyJWFDNAGEDXNIEG-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.73
Rot. Bonds4

About N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 156585106) has the molecular formula C13H11FN6O2S and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
PubChem CID156585106
Molecular FormulaC13H11FN6O2S
Molecular Weight334.34 g/mol
Exact Mass334.06
IUPAC NameN-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
SMILESCOc1nc(C(=O)Nc2nnc(-c3ccccc3F)s2)nn1C
InChIInChI=1S/C13H11FN6O2S/c1-20-13(22-2)15-9(19-20)10(21)16-12-18-17-11(23-12)7-5-3-4-6-8(7)14/h3-6H,1-2H3,(H,16,18,21)
InChIKeyJWFDNAGEDXNIEG-UHFFFAOYSA-N
XLogP1.73
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4222808
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
1-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
CID 808856
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618
N-[5-(2-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 163363704
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 86834917
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 1395648
4-bromo-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4562211
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 121315783
2-(benzimidazol-1-yl)-N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 93242439
2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021
2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide (CID 156585106) is N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide is COc1nc(C(=O)Nc2nnc(-c3ccccc3F)s2)nn1C.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is JWFDNAGEDXNIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O2S/c1-20-13(22-2)15-9(19-20)10(21)16-12-18-17-11(23-12)7-5-3-4-6-8(7)14/h3-6H,1-2H3,(H,16,18,21).
What are the key properties of N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide?
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 156585106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).