N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C19H14F3N3O2S — CID 58801964

IUPACN-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(/C=N\O)cc2)s1
InChIInChI=1S/C19H14F3N3O2S/c1-11-24-17(19(20,21)22)16(28-11)18(26)25-15-5-3-2-4-14(15)13-8-6-12(7-9-13)10-23-27/h2-10,27H,1H3,(H,25,26)/b23-10-
InChIKeyLAVJDVJYIJJMRJ-RMORIDSASA-N
MW405.40 g/mol
LogP5.20
Rot. Bonds4

About N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58801964) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID58801964
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC NameN-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(/C=N\O)cc2)s1
InChIInChI=1S/C19H14F3N3O2S/c1-11-24-17(19(20,21)22)16(28-11)18(26)25-15-5-3-2-4-14(15)13-8-6-12(7-9-13)10-23-27/h2-10,27H,1H3,(H,25,26)/b23-10-
InChIKeyLAVJDVJYIJJMRJ-RMORIDSASA-N
XLogP5.20
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 58801964) is N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(/C=N\O)cc2)s1.
What is the InChIKey of N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LAVJDVJYIJJMRJ-RMORIDSASA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c1-11-24-17(19(20,21)22)16(28-11)18(26)25-15-5-3-2-4-14(15)13-8-6-12(7-9-13)10-23-27/h2-10,27H,1H3,(H,25,26)/b23-10-.
What are the key properties of N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(Z)-hydroxyiminomethyl]phenyl]phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58801964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).