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

C19H14F3N3OS — CID 110527251

IUPAC5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccccc2)nc1C(=O)N/N=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3N3OS/c1-12-16(24-18(27-12)13-7-3-2-4-8-13)17(26)25-23-11-14-9-5-6-10-15(14)19(20,21)22/h2-11H,1H3,(H,25,26)/b23-11-
InChIKeyFJDJATZLOSGOTO-KSEXSDGBSA-N
MW389.40 g/mol
LogP4.90
Rot. Bonds4

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

5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide (PubChem CID 110527251) has the molecular formula C19H14F3N3OS and a molecular weight of 389.40 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide
PubChem CID110527251
Molecular FormulaC19H14F3N3OS
Molecular Weight389.40 g/mol
Exact Mass389.08
IUPAC Name5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccccc2)nc1C(=O)N/N=C\c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14F3N3OS/c1-12-16(24-18(27-12)13-7-3-2-4-8-13)17(26)25-23-11-14-9-5-6-10-15(14)19(20,21)22/h2-11H,1H3,(H,25,26)/b23-11-
InChIKeyFJDJATZLOSGOTO-KSEXSDGBSA-N
XLogP4.90
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide (CID 110527251) is 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccccc2)nc1C(=O)N/N=C\c1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide?
The InChIKey is FJDJATZLOSGOTO-KSEXSDGBSA-N. The full InChI is InChI=1S/C19H14F3N3OS/c1-12-16(24-18(27-12)13-7-3-2-4-8-13)17(26)25-23-11-14-9-5-6-10-15(14)19(20,21)22/h2-11H,1H3,(H,25,26)/b23-11-.
What are the key properties of 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide?
5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110527251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).