N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine

C18H24N2O2S — CID 119129675

IUPACN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine
SMILESCc1ccc(OCc2nc(CNCC3CCCOC3)cs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-14-4-6-17(7-5-14)22-12-18-20-16(13-23-18)10-19-9-15-3-2-8-21-11-15/h4-7,13,15,19H,2-3,8-12H2,1H3
InChIKeyZFEBULPPAHVJBV-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.55
Rot. Bonds7

About N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine

N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine (PubChem CID 119129675) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine
PubChem CID119129675
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine
SMILESCc1ccc(OCc2nc(CNCC3CCCOC3)cs2)cc1
InChIInChI=1S/C18H24N2O2S/c1-14-4-6-17(7-5-14)22-12-18-20-16(13-23-18)10-19-9-15-3-2-8-21-11-15/h4-7,13,15,19H,2-3,8-12H2,1H3
InChIKeyZFEBULPPAHVJBV-UHFFFAOYSA-N
XLogP3.55
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine (CID 119129675) is N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine is Cc1ccc(OCc2nc(CNCC3CCCOC3)cs2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is ZFEBULPPAHVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14-4-6-17(7-5-14)22-12-18-20-16(13-23-18)10-19-9-15-3-2-8-21-11-15/h4-7,13,15,19H,2-3,8-12H2,1H3.
What are the key properties of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine?
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 332.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 119129675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).