N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide

C14H11FN4OS — CID 47071215

IUPACN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)s1
InChIInChI=1S/C14H11FN4OS/c1-9-2-5-13(21-9)14(20)18-10-3-4-12(11(15)6-10)19-8-16-7-17-19/h2-8H,1H3,(H,18,20)
InChIKeyAWWKEMLMSWULEU-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.03
Rot. Bonds3

About N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide (PubChem CID 47071215) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
PubChem CID47071215
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC NameN-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)s1
InChIInChI=1S/C14H11FN4OS/c1-9-2-5-13(21-9)14(20)18-10-3-4-12(11(15)6-10)19-8-16-7-17-19/h2-8H,1H3,(H,18,20)
InChIKeyAWWKEMLMSWULEU-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide (CID 47071215) is N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)s1.
What is the InChIKey of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide?
The InChIKey is AWWKEMLMSWULEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c1-9-2-5-13(21-9)14(20)18-10-3-4-12(11(15)6-10)19-8-16-7-17-19/h2-8H,1H3,(H,18,20).
What are the key properties of N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide?
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 47071215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).