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

C15H11F2N3S2 — CID 71451198

IUPAC4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccs1
InChIInChI=1S/C15H11F2N3S2/c1-9(14-3-2-6-21-14)19-20-15-18-13(8-22-15)11-5-4-10(16)7-12(11)17/h2-8H,1H3,(H,18,20)/b19-9-
InChIKeyKVQJSAJPBLLLAA-OCKHKDLRSA-N
MW335.40 g/mol
LogP4.99
Rot. Bonds4

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

4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 71451198) has the molecular formula C15H11F2N3S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID71451198
Molecular FormulaC15H11F2N3S2
Molecular Weight335.40 g/mol
Exact Mass335.04
IUPAC Name4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccs1
InChIInChI=1S/C15H11F2N3S2/c1-9(14-3-2-6-21-14)19-20-15-18-13(8-22-15)11-5-4-10(16)7-12(11)17/h2-8H,1H3,(H,18,20)/b19-9-
InChIKeyKVQJSAJPBLLLAA-OCKHKDLRSA-N
XLogP4.99
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.99
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)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 71451198) is 4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N/Nc1nc(-c2ccc(F)cc2F)cs1)c1cccs1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is KVQJSAJPBLLLAA-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H11F2N3S2/c1-9(14-3-2-6-21-14)19-20-15-18-13(8-22-15)11-5-4-10(16)7-12(11)17/h2-8H,1H3,(H,18,20)/b19-9-.
What are the key properties of 4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 335.40 g/mol, XLogP of 4.99, 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)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71451198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).