2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

C19H20FN5OS — CID 57329858

IUPAC2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(/C=C/c2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)NC(C)C
InChIInChI=1S/C19H20FN5OS/c1-11(2)21-19(26)18-12(3)22-16(27-18)10-9-15-17(23-24-25(15)4)13-5-7-14(20)8-6-13/h5-11H,1-4H3,(H,21,26)/b10-9+
InChIKeyQKMNGPKHYFWMIR-MDZDMXLPSA-N
MW385.47 g/mol
LogP3.69
Rot. Bonds5

About 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 57329858) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID57329858
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(/C=C/c2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)NC(C)C
InChIInChI=1S/C19H20FN5OS/c1-11(2)21-19(26)18-12(3)22-16(27-18)10-9-15-17(23-24-25(15)4)13-5-7-14(20)8-6-13/h5-11H,1-4H3,(H,21,26)/b10-9+
InChIKeyQKMNGPKHYFWMIR-MDZDMXLPSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 57329858) is 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(/C=C/c2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)NC(C)C.
What is the InChIKey of 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QKMNGPKHYFWMIR-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-11(2)21-19(26)18-12(3)22-16(27-18)10-9-15-17(23-24-25(15)4)13-5-7-14(20)8-6-13/h5-11H,1-4H3,(H,21,26)/b10-9+.
What are the key properties of 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 57329858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).