N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine

C12H17FN2OS — CID 126856204

IUPACN-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(N(C2CCC2)[C@@H]2COC[C@H]2F)n1
InChIInChI=1S/C12H17FN2OS/c1-8-7-17-12(14-8)15(9-3-2-4-9)11-6-16-5-10(11)13/h7,9-11H,2-6H2,1H3/t10-,11-/m1/s1
InChIKeyWKCVDBQVFSHGPX-GHMZBOCLSA-N
MW256.35 g/mol
LogP2.55
Rot. Bonds3

About N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine

N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 126856204) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID126856204
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC NameN-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(N(C2CCC2)[C@@H]2COC[C@H]2F)n1
InChIInChI=1S/C12H17FN2OS/c1-8-7-17-12(14-8)15(9-3-2-4-9)11-6-16-5-10(11)13/h7,9-11H,2-6H2,1H3/t10-,11-/m1/s1
InChIKeyWKCVDBQVFSHGPX-GHMZBOCLSA-N
XLogP2.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 126856204) is N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(N(C2CCC2)[C@@H]2COC[C@H]2F)n1.
What is the InChIKey of N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is WKCVDBQVFSHGPX-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-8-7-17-12(14-8)15(9-3-2-4-9)11-6-16-5-10(11)13/h7,9-11H,2-6H2,1H3/t10-,11-/m1/s1.
What are the key properties of N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126856204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).