N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine

C15H18N2OS — CID 71981375

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine
SMILESCc1csc(CNC2CCOC2c2ccccc2)n1
InChIInChI=1S/C15H18N2OS/c1-11-10-19-14(17-11)9-16-13-7-8-18-15(13)12-5-3-2-4-6-12/h2-6,10,13,15-16H,7-9H2,1H3
InChIKeyXWOQMFSBEUMQAG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.07
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine (PubChem CID 71981375) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine
PubChem CID71981375
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine
SMILESCc1csc(CNC2CCOC2c2ccccc2)n1
InChIInChI=1S/C15H18N2OS/c1-11-10-19-14(17-11)9-16-13-7-8-18-15(13)12-5-3-2-4-6-12/h2-6,10,13,15-16H,7-9H2,1H3
InChIKeyXWOQMFSBEUMQAG-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine (CID 71981375) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine is Cc1csc(CNC2CCOC2c2ccccc2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine?
The InChIKey is XWOQMFSBEUMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-10-19-14(17-11)9-16-13-7-8-18-15(13)12-5-3-2-4-6-12/h2-6,10,13,15-16H,7-9H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenyloxolan-3-amine is sourced from PubChem (CID 71981375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).