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

C14H9F2N3S2 — CID 71458378

IUPAC4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C\c3cccs3)n2)c(F)c1
InChIInChI=1S/C14H9F2N3S2/c15-9-3-4-11(12(16)6-9)13-8-21-14(18-13)19-17-7-10-2-1-5-20-10/h1-8H,(H,18,19)/b17-7-
InChIKeyKLOSEWAICCJVSG-IDUWFGFVSA-N
MW321.38 g/mol
LogP4.60
Rot. Bonds4

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

4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 71458378) has the molecular formula C14H9F2N3S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID71458378
Molecular FormulaC14H9F2N3S2
Molecular Weight321.38 g/mol
Exact Mass321.02
IUPAC Name4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C\c3cccs3)n2)c(F)c1
InChIInChI=1S/C14H9F2N3S2/c15-9-3-4-11(12(16)6-9)13-8-21-14(18-13)19-17-7-10-2-1-5-20-10/h1-8H,(H,18,19)/b17-7-
InChIKeyKLOSEWAICCJVSG-IDUWFGFVSA-N
XLogP4.60
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.60
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)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 71458378) is 4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(N/N=C\c3cccs3)n2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is KLOSEWAICCJVSG-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H9F2N3S2/c15-9-3-4-11(12(16)6-9)13-8-21-14(18-13)19-17-7-10-2-1-5-20-10/h1-8H,(H,18,19)/b17-7-.
What are the key properties of 4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 321.38 g/mol, XLogP of 4.60, 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)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71458378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).