N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C13H16N2OS — CID 80713434

IUPACN-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(C2CSC(NC3CCOC3)=N2)cc1
InChIInChI=1S/C13H16N2OS/c1-2-4-10(5-3-1)12-9-17-13(15-12)14-11-6-7-16-8-11/h1-5,11-12H,6-9H2,(H,14,15)
InChIKeyOZFOWYWYQLWPLK-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.21
Rot. Bonds2

About N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 80713434) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID80713434
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(C2CSC(NC3CCOC3)=N2)cc1
InChIInChI=1S/C13H16N2OS/c1-2-4-10(5-3-1)12-9-17-13(15-12)14-11-6-7-16-8-11/h1-5,11-12H,6-9H2,(H,14,15)
InChIKeyOZFOWYWYQLWPLK-UHFFFAOYSA-N
XLogP2.21
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 80713434) is N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is c1ccc(C2CSC(NC3CCOC3)=N2)cc1.
What is the InChIKey of N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OZFOWYWYQLWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-4-10(5-3-1)12-9-17-13(15-12)14-11-6-7-16-8-11/h1-5,11-12H,6-9H2,(H,14,15).
What are the key properties of N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 80713434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).