N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

C18H19FN4OS — CID 138000684

IUPACN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)n1
InChIInChI=1S/C18H19FN4OS/c1-4-23-21-11(2)16(22-23)10-20-18(24)17-9-15(12(3)25-17)13-5-7-14(19)8-6-13/h5-9H,4,10H2,1-3H3,(H,20,24)
InChIKeyRAZSIQZYEMGSPZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.71
Rot. Bonds5

About N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide

N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 138000684) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
PubChem CID138000684
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)n1
InChIInChI=1S/C18H19FN4OS/c1-4-23-21-11(2)16(22-23)10-20-18(24)17-9-15(12(3)25-17)13-5-7-14(19)8-6-13/h5-9H,4,10H2,1-3H3,(H,20,24)
InChIKeyRAZSIQZYEMGSPZ-UHFFFAOYSA-N
XLogP3.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46869040
CID 46869040
CID 46869041
CID 46869041
CID 46869042
CID 46869042
CID 46869117
CID 46869117
CID 46869186
CID 46869186
CID 46869187
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CID 57826872
CID 57826872

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide (CID 138000684) is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is CCn1nc(C)c(CNC(=O)c2cc(-c3ccc(F)cc3)c(C)s2)n1.
What is the InChIKey of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is RAZSIQZYEMGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-4-23-21-11(2)16(22-23)10-20-18(24)17-9-15(12(3)25-17)13-5-7-14(19)8-6-13/h5-9H,4,10H2,1-3H3,(H,20,24).
What are the key properties of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide?
N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-4-(4-fluorophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 138000684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).