4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

C15H10F2N4S — CID 71449402

IUPAC4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C\c3cccnc3)n2)c(F)c1
InChIInChI=1S/C15H10F2N4S/c16-11-3-4-12(13(17)6-11)14-9-22-15(20-14)21-19-8-10-2-1-5-18-7-10/h1-9H,(H,20,21)/b19-8-
InChIKeyBUVQFKIFNDUNJD-UWVJOHFNSA-N
MW316.34 g/mol
LogP3.93
Rot. Bonds4

About 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 71449402) has the molecular formula C15H10F2N4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID71449402
Molecular FormulaC15H10F2N4S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC Name4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C\c3cccnc3)n2)c(F)c1
InChIInChI=1S/C15H10F2N4S/c16-11-3-4-12(13(17)6-11)14-9-22-15(20-14)21-19-8-10-2-1-5-18-7-10/h1-9H,(H,20,21)/b19-8-
InChIKeyBUVQFKIFNDUNJD-UWVJOHFNSA-N
XLogP3.93
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (CID 71449402) is 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(N/N=C\c3cccnc3)n2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is BUVQFKIFNDUNJD-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H10F2N4S/c16-11-3-4-12(13(17)6-11)14-9-22-15(20-14)21-19-8-10-2-1-5-18-7-10/h1-9H,(H,20,21)/b19-8-.
What are the key properties of 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 316.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71449402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).