(Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine

C20H19FN4OS — CID 8825792

IUPAC(Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESFc1cccc(-c2cs/c(=N\C[C@H]3CCCO3)n2/N=C\c2cccnc2)c1
InChIInChI=1S/C20H19FN4OS/c21-17-6-1-5-16(10-17)19-14-27-20(23-13-18-7-3-9-26-18)25(19)24-12-15-4-2-8-22-11-15/h1-2,4-6,8,10-12,14,18H,3,7,9,13H2/b23-20-,24-12-/t18-/m1/s1
InChIKeyBCYXWGOQZRGFGS-YOGJMIKQSA-N
MW382.46 g/mol
LogP3.71
Rot. Bonds5

About (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine

(Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 8825792) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID8825792
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name(Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESFc1cccc(-c2cs/c(=N\C[C@H]3CCCO3)n2/N=C\c2cccnc2)c1
InChIInChI=1S/C20H19FN4OS/c21-17-6-1-5-16(10-17)19-14-27-20(23-13-18-7-3-9-26-18)25(19)24-12-15-4-2-8-22-11-15/h1-2,4-6,8,10-12,14,18H,3,7,9,13H2/b23-20-,24-12-/t18-/m1/s1
InChIKeyBCYXWGOQZRGFGS-YOGJMIKQSA-N
XLogP3.71
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine (CID 8825792) is (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is Fc1cccc(-c2cs/c(=N\C[C@H]3CCCO3)n2/N=C\c2cccnc2)c1.
What is the InChIKey of (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is BCYXWGOQZRGFGS-YOGJMIKQSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-17-6-1-5-16(10-17)19-14-27-20(23-13-18-7-3-9-26-18)25(19)24-12-15-4-2-8-22-11-15/h1-2,4-6,8,10-12,14,18H,3,7,9,13H2/b23-20-,24-12-/t18-/m1/s1.
What are the key properties of (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
(Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 382.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 8825792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).