2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C15H14FN5O2S — CID 70961351

IUPAC2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cnn(Cc3ccc(CF)cc3)c2=O)sc1C(N)=O
InChIInChI=1S/C15H14FN5O2S/c1-9-12(13(17)22)24-14(19-9)20-8-18-21(15(20)23)7-11-4-2-10(6-16)3-5-11/h2-5,8H,6-7H2,1H3,(H2,17,22)
InChIKeyXRIZRKPKQZEAJN-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.42
Rot. Bonds5

About 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 70961351) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID70961351
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cnn(Cc3ccc(CF)cc3)c2=O)sc1C(N)=O
InChIInChI=1S/C15H14FN5O2S/c1-9-12(13(17)22)24-14(19-9)20-8-18-21(15(20)23)7-11-4-2-10(6-16)3-5-11/h2-5,8H,6-7H2,1H3,(H2,17,22)
InChIKeyXRIZRKPKQZEAJN-UHFFFAOYSA-N
XLogP1.42
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 70961351) is 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cnn(Cc3ccc(CF)cc3)c2=O)sc1C(N)=O.
What is the InChIKey of 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XRIZRKPKQZEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-9-12(13(17)22)24-14(19-9)20-8-18-21(15(20)23)7-11-4-2-10(6-16)3-5-11/h2-5,8H,6-7H2,1H3,(H2,17,22).
What are the key properties of 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(fluoromethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70961351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).