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

C15H20N2OS — CID 62444643

IUPACN-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COCc2ccccc2)cs1
InChIInChI=1S/C15H20N2OS/c1-12(2)16-8-15-17-14(11-19-15)10-18-9-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyZGSINLZBDWGAGE-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.36
Rot. Bonds7

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

N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62444643) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62444643
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(COCc2ccccc2)cs1
InChIInChI=1S/C15H20N2OS/c1-12(2)16-8-15-17-14(11-19-15)10-18-9-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyZGSINLZBDWGAGE-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62456588
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82808402
N-[[4-(2-methylbutan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62457385
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292
N-[[4-[(2-methylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62443365
N-[[4-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 63216732
N-[[4-[(4-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 65125120
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026
N-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62411292
N-[[4-[(2-ethylcyclohexyl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62443373

Frequently Asked Questions

What is the IUPAC name of N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62444643) is N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(COCc2ccccc2)cs1.
What is the InChIKey of N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ZGSINLZBDWGAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12(2)16-8-15-17-14(11-19-15)10-18-9-13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3.
What are the key properties of N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 276.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62444643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).