4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

C19H18FN3OS — CID 3961832

IUPAC4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccccc1-c1cs/c(=N\c2cccnc2)n1CC1CCCO1
InChIInChI=1S/C19H18FN3OS/c20-17-8-2-1-7-16(17)18-13-25-19(22-14-5-3-9-21-11-14)23(18)12-15-6-4-10-24-15/h1-3,5,7-9,11,13,15H,4,6,10,12H2/b22-19-
InChIKeyIDMMGLRADVKANV-QOCHGBHMSA-N
MW355.44 g/mol
LogP4.16
Rot. Bonds4

About 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 3961832) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID3961832
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESFc1ccccc1-c1cs/c(=N\c2cccnc2)n1CC1CCCO1
InChIInChI=1S/C19H18FN3OS/c20-17-8-2-1-7-16(17)18-13-25-19(22-14-5-3-9-21-11-14)23(18)12-15-6-4-10-24-15/h1-3,5,7-9,11,13,15H,4,6,10,12H2/b22-19-
InChIKeyIDMMGLRADVKANV-QOCHGBHMSA-N
XLogP4.16
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 3961832) is 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1CC1CCCO1.
What is the InChIKey of 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is IDMMGLRADVKANV-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18FN3OS/c20-17-8-2-1-7-16(17)18-13-25-19(22-14-5-3-9-21-11-14)23(18)12-15-6-4-10-24-15/h1-3,5,7-9,11,13,15H,4,6,10,12H2/b22-19-.
What are the key properties of 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 355.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(oxolan-2-ylmethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 3961832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).