N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine

C9H13FN2OS — CID 126856332

IUPACN-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2COCC2F)sc1C
InChIInChI=1S/C9H13FN2OS/c1-5-6(2)14-9(11-5)12-8-4-13-3-7(8)10/h7-8H,3-4H2,1-2H3,(H,11,12)
InChIKeyLYSHIBAELICLTI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.91
Rot. Bonds2

About N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 126856332) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID126856332
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC NameN-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2COCC2F)sc1C
InChIInChI=1S/C9H13FN2OS/c1-5-6(2)14-9(11-5)12-8-4-13-3-7(8)10/h7-8H,3-4H2,1-2H3,(H,11,12)
InChIKeyLYSHIBAELICLTI-UHFFFAOYSA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 126856332) is N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NC2COCC2F)sc1C.
What is the InChIKey of N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is LYSHIBAELICLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-5-6(2)14-9(11-5)12-8-4-13-3-7(8)10/h7-8H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 216.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorooxolan-3-yl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126856332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).