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

C14H10FN3S2 — CID 6270394

IUPAC4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1
InChIInChI=1S/C14H10FN3S2/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12/h1-9H,(H,17,18)/b16-8-
InChIKeyFFVYHNCRUKVSEY-PXNMLYILSA-N
MW303.39 g/mol
LogP4.46
Rot. Bonds4

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

4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 6270394) has the molecular formula C14H10FN3S2 and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID6270394
Molecular FormulaC14H10FN3S2
Molecular Weight303.39 g/mol
Exact Mass303.03
IUPAC Name4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1
InChIInChI=1S/C14H10FN3S2/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12/h1-9H,(H,17,18)/b16-8-
InChIKeyFFVYHNCRUKVSEY-PXNMLYILSA-N
XLogP4.46
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.46
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-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine (CID 6270394) is 4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(N/N=C\c3cccs3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is FFVYHNCRUKVSEY-PXNMLYILSA-N. The full InChI is InChI=1S/C14H10FN3S2/c15-11-5-3-10(4-6-11)13-9-20-14(17-13)18-16-8-12-2-1-7-19-12/h1-9H,(H,17,18)/b16-8-.
What are the key properties of 4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 303.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6270394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).